diff --git a/cell2mol/TM-GSspin_RandomForest.pkl b/cell2mol/TM-GSspin_RandomForest.pkl index b5cdc77a..6d40aafe 100644 Binary files a/cell2mol/TM-GSspin_RandomForest.pkl and b/cell2mol/TM-GSspin_RandomForest.pkl differ diff --git a/cell2mol/c2m_module.py b/cell2mol/c2m_module.py index d3e52c6d..19e53d5f 100644 --- a/cell2mol/c2m_module.py +++ b/cell2mol/c2m_module.py @@ -15,7 +15,7 @@ from cell2mol.tmcharge_common import cell from cell2mol.cellconversions import frac2cart_fromparam from cell2mol.readwrite import readinfo -from cell2mol.spin import count_N, count_d_elec, assign_ground_state_spin_empirical, generate_feature_vector +from cell2mol.spin import count_N, count_d_elec, assign_ground_state_spin_empirical, generate_feature_vector, calcualte_relative_metal_radius from typing import Tuple from cell2mol import __file__ from cell2mol.elementdata import ElementData @@ -255,11 +255,11 @@ def assign_spin (cell: object, debug: int=0) -> object: met = mol.metalist[0] period = elemdatabase.elementperiod[met.label] d_elec = count_d_elec (met.label, met.totcharge) - + rel = calcualte_relative_metal_radius(met) if period == 4: if met.hapticity == False: # 3d transition metal coordination complexes if debug >= 1: print("3d transition metal coordination complexes") - if debug >= 1: print(f"{mol.type=} {mol.formula=} {met.label=} OS={met.totcharge} {met.geometry=} {met.coordination_number=} {met.coordinating_atoms=}") + if debug >= 1: print(f"{mol.type=} {mol.formula=} {met.label=} OS={met.totcharge} {met.geometry=} {met.coordination_number=} {met.coordinating_atoms=} rel_m={rel} d_elec={d_elec}") # i) Assign spin multiplicity based on empirical rules spin, rule, threshold = assign_ground_state_spin_empirical(met, N) if debug >= 1: print(f"By empirical model {spin=}") diff --git a/cell2mol/property_2063.txt b/cell2mol/property_2063.txt new file mode 100644 index 00000000..a0262e08 --- /dev/null +++ b/cell2mol/property_2063.txt @@ -0,0 +1,2064 @@ +refcode metal total_charge spin_multiplicity elem_nr m_ox d_elec CN geometry rel_m +KIPLIH Cr 0 1 24 0 5 5 Square pyramidal 0.836 +AYIZIS Cr 0 1 24 0 5 6 Octahedral 0.848 +MISLAB Cr 0 1 24 0 5 6 Octahedral 0.859 +KOQBAT Cr 0 1 24 0 5 6 Octahedral 0.86 +VOWRAA Cr -1 1 24 0 5 6 Octahedral 0.856 +YEJWAM Cr 0 1 24 0 5 6 Octahedral 0.861 +BIVTOP Cr 0 1 24 0 5 6 Octahedral 0.863 +EAMNCR10 Cr 0 1 24 0 5 6 Octahedral 0.851 +MACZEW Cr 0 1 24 0 5 6 Octahedral 0.878 +PCTHFC Cr 0 1 24 0 5 6 Octahedral 0.868 +JONMEE Cr 0 1 24 0 5 6 Octahedral 0.845 +RIMDIA Cr 0 1 24 0 5 6 Octahedral 0.923 +JAGGED Cr 0 1 24 0 5 6 Octahedral 0.849 +TABNEP Cr 0 1 24 0 5 6 Octahedral 0.859 +CMPHSC Cr 0 1 24 0 5 6 Octahedral 0.865 +SEKHEX Cr 0 1 24 0 5 6 Octahedral 0.838 +VOYJEY Cr 0 1 24 0 5 6 Octahedral 0.84 +PEMSOP Cr 0 1 24 0 5 6 Octahedral 0.845 +HINTUU Cr 0 1 24 0 5 6 Octahedral 0.899 +SOBXAI Cr 0 1 24 0 5 6 Octahedral 0.863 +RIQQAJ Cr -1 1 24 0 5 6 Octahedral 0.883 +RIQQEN Cr -1 1 24 0 5 6 Octahedral 0.888 +EKOXOR Cr 0 1 24 0 5 6 Octahedral 0.853 +PEMTAC Cr 0 1 24 0 5 6 Octahedral 0.876 +ROKBUO Cr 0 1 24 0 5 6 Octahedral 0.855 +TAJXUZ Cr 0 1 24 0 5 6 Octahedral 0.847 +KIJSUR Cr 0 1 24 0 5 6 Octahedral 0.861 +THOCCR Cr 0 1 24 0 5 6 Octahedral 0.871 +BORFET Cr 0 1 24 0 5 6 Octahedral 0.873 +TUTJOH Cr -1 1 24 0 5 6 Octahedral 0.881 +ISURUK Cr 0 1 24 0 5 6 Octahedral 0.832 +RUKLAK Cr 0 1 24 0 5 6 Octahedral 0.911 +TAJYAG Cr 0 1 24 0 5 6 Octahedral 0.869 +TAWNEK Cr 0 1 24 0 5 6 Octahedral 0.858 +FOKYEJ Cr 0 1 24 0 5 6 Octahedral 0.858 +MEHBAC Cr 0 1 24 0 5 6 Octahedral 0.905 +ISURAQ Cr 0 1 24 0 5 6 Octahedral 0.852 +XOCNUY Cr 0 1 24 0 5 6 Octahedral 0.879 +DOQWUC Cr 0 5 24 2 4 3 T-shaped 0.958 +DOQXUD Cr 0 5 24 2 4 3 Trigonal planar 0.913 +PUXVOU Cr 0 5 24 2 4 3 Trigonal planar 0.925 +INIHAP Cr 0 5 24 2 4 3 Trigonal planar 0.891 +AKASIQ Cr 0 5 24 2 4 3 Trigonal planar 0.897 +RIWXEA Cr 0 5 24 2 4 4 Seesaw 1.022 +PUVLAV Cr 0 5 24 2 4 4 Seesaw 1.095 +VIKYOE Cr 0 5 24 2 4 4 Seesaw 1.114 +HOXMOX Cr -1 5 24 2 4 4 Seesaw 0.965 +COPCAM Cr 0 5 24 2 4 4 Seesaw 0.954 +ODIHOY Cr 0 5 24 2 4 4 Seesaw 0.97 +CAFZAM Cr 0 5 24 2 4 4 Seesaw 0.968 +LUYXEJ Cr 0 5 24 2 4 4 Seesaw 0.973 +KAPPEW Cr 0 5 24 2 4 4 Seesaw 1.076 +HAGHOO Cr 0 5 24 2 4 4 Square planar 1.029 +UNEREL Cr 0 5 24 2 4 4 Square planar 0.996 +VABTOH Cr 0 5 24 2 4 4 Square planar 1.023 +UDUSAQ Cr 0 5 24 2 4 4 Square planar 0.991 +CILGIO Cr 0 5 24 2 4 4 Square planar 1.003 +RUWSOU Cr 0 5 24 2 4 4 Square planar 1.012 +EQIVOP Cr 0 5 24 2 4 4 Square planar 0.98 +ZOYCUL Cr 0 5 24 2 4 4 Square planar 0.988 +XEMSAK Cr 0 5 24 2 4 4 Square planar 1.009 +DIXXEP Cr 0 5 24 2 4 4 Square planar 1.02 +UDURUJ Cr 0 5 24 2 4 4 Square planar 0.962 +RUWSAG Cr 0 5 24 2 4 4 Square planar 0.978 +DUYZII Cr 0 5 24 2 4 4 Square planar 0.978 +SEZVAU Cr 0 5 24 2 4 4 Square planar 0.993 +ZURVIR Cr -2 5 24 2 4 4 Square planar 0.947 +WAFBUA Cr -2 5 24 2 4 4 Square planar 1.03 +LOZWIJ Cr 0 5 24 2 4 4 Square planar 0.988 +IHEVUM Cr 0 5 24 2 4 4 Square planar 0.983 +SEZVEY Cr -2 5 24 2 4 4 Square planar 0.987 +JOBBAF Cr 0 5 24 2 4 4 Square planar 1.05 +AFOSUM Cr 0 5 24 2 4 4 Square planar 0.986 +EQIVIJ Cr 0 5 24 2 4 4 Square planar 0.965 +GIFJEM Cr 0 5 24 2 4 4 Square planar 0.965 +DUBPIA Cr 0 5 24 2 4 4 Square planar 0.964 +MIRVEP Cr 0 5 24 2 4 4 Square planar 1.004 +ECOXAW Cr 0 5 24 2 4 4 Square planar 0.963 +VAMNAY Cr 0 5 24 2 4 4 Square planar 0.978 +HUSXUP Cr -2 5 24 2 4 4 Square planar 0.944 +MUQQOE Cr 0 5 24 2 4 5 Square pyramidal 1.039 +JAPLUI Cr 0 5 24 2 4 5 Square pyramidal 0.976 +LEMRIF Cr 0 5 24 2 4 5 Square pyramidal 1.009 +MUNLIQ Cr 0 5 24 2 4 5 Square pyramidal 1.045 +QIRWUL Cr 1 5 24 2 4 5 Square pyramidal 1.029 +BUJPIH Cr 0 5 24 2 4 5 Square pyramidal 1.027 +DOJCOX Cr -1 5 24 2 4 5 Square pyramidal 0.97 +WUNCAK Cr 0 5 24 2 4 5 Square pyramidal 1.037 +WUNCEO Cr 1 5 24 2 4 5 Square pyramidal 1.042 +SEZTUM Cr 0 5 24 2 4 5 Square pyramidal 1.045 +CUBBOQ Cr 0 5 24 2 4 5 Square pyramidal 1.021 +QIRWIZ Cr 1 5 24 2 4 5 Trigonal bipyramidal 1.043 +ZATWOI Cr 1 5 24 2 4 5 Trigonal bipyramidal 1.026 +QIRWOF Cr 1 5 24 2 4 5 Trigonal bipyramidal 1.029 +CAGCIW Cr -2 5 24 2 4 6 Octahedral 1.071 +VAQFAU Cr 0 5 24 2 4 6 Octahedral 1.122 +VUTTAH Cr 0 3 24 2 4 6 Octahedral 0.935 +NEYWOD Cr 0 3 24 2 4 6 Octahedral 0.942 +NAFNEO Cr 0 3 24 2 4 6 Octahedral 0.958 +WUTDEW Cr 2 5 24 2 4 6 Octahedral 1.068 +KAWKIE Cr 2 5 24 2 4 6 Octahedral 1.101 +JUVYOO Cr 0 5 24 2 4 6 Octahedral 1.096 +CIDVOA Cr 0 5 24 2 4 6 Octahedral 1.047 +IWORIX Cr 2 5 24 2 4 6 Octahedral 1.028 +NOHKUQ Cr 0 4 24 3 3 3 Trigonal planar 0.826 +GAGVUG Cr 0 4 24 3 3 3 Trigonal planar 0.826 +JIWRIQ Cr -1 4 24 3 3 4 Seesaw 0.997 +LUBPOQ Cr 0 4 24 3 3 4 Tetrahedral 0.934 +FEWMEA Cr 1 4 24 3 3 4 Tetrahedral 0.924 +VOCTIQ Cr 0 4 24 3 3 4 Tetrahedral 0.905 +PUXVIO Cr 0 4 24 3 3 4 Tetrahedral 0.897 +INIFOB Cr 0 4 24 3 3 4 Tetrahedral 0.873 +HONZUF Cr 0 4 24 3 3 5 Square pyramidal 1.006 +HONZOZ Cr 0 4 24 3 3 5 Square pyramidal 0.978 +LOZXOQ Cr 1 4 24 3 3 5 Square pyramidal 0.986 +UWUYER Cr 0 4 24 3 3 5 Square pyramidal 0.924 +ACEGOH Cr 0 4 24 3 3 5 Square pyramidal 1.04 +ICASOV Cr 0 4 24 3 3 5 Square pyramidal 0.892 +YEJJIG Cr 0 4 24 3 3 5 Square pyramidal 0.919 +HONZIT Cr 0 4 24 3 3 5 Trigonal bipyramidal 0.997 +ILUFUQ Cr -1 4 24 3 3 5 Trigonal bipyramidal 0.952 +MOMCIB Cr 0 4 24 3 3 5 Trigonal bipyramidal 0.94 +WUKDOV Cr 1 4 24 3 3 5 Trigonal bipyramidal 0.942 +PUDPAG Cr 0 4 24 3 3 6 Octahedral 0.935 +YARTIW Cr -3 4 24 3 3 6 Octahedral 0.974 +PITBUP Cr -1 4 24 3 3 6 Octahedral 1.059 +LUGDUM Cr 0 4 24 3 3 6 Octahedral 1.001 +DIYVAL Cr 0 4 24 3 3 6 Octahedral 1.041 +JEPPOM Cr 0 4 24 3 3 6 Octahedral 1.02 +FOSVIS Cr 0 4 24 3 3 6 Octahedral 1.047 +NEYWUJ Cr 0 4 24 3 3 6 Octahedral 0.953 +KEFYAV Cr 1 4 24 3 3 6 Octahedral 0.976 +DPBPCR Cr 1 4 24 3 3 6 Octahedral 1.0 +RUHHOS Cr 1 4 24 3 3 6 Octahedral 0.983 +KIWMAG Cr 1 4 24 3 3 6 Octahedral 1.001 +YEKLOQ Cr 0 4 24 3 3 6 Octahedral 1.012 +VOGYUM Cr -1 4 24 3 3 6 Octahedral 0.96 +FIKXEF Cr -1 4 24 3 3 6 Octahedral 0.968 +CAZVAA Cr -1 4 24 3 3 6 Octahedral 0.966 +AHEZAO Cr 0 4 24 3 3 6 Octahedral 0.952 +PAZDUQ Cr 0 4 24 3 3 6 Octahedral 0.983 +EGEYIA Cr 0 4 24 3 3 6 Octahedral 0.945 +VOGYOG Cr 0 4 24 3 3 6 Octahedral 0.953 +ZAXBUX Cr 0 4 24 3 3 6 Octahedral 0.946 +YEZYUZ Cr 0 4 24 3 3 6 Octahedral 0.98 +WIMNIR Cr 0 4 24 3 3 6 Octahedral 0.961 +KOLZAN Cr 0 4 24 3 3 6 Octahedral 0.967 +GIDKAH Cr 0 4 24 3 3 6 Octahedral 0.945 +ZOVZOB Cr 0 4 24 3 3 6 Octahedral 0.976 +KIWQOY Cr 0 4 24 3 3 6 Octahedral 0.958 +KIWZAT Cr 0 4 24 3 3 6 Octahedral 0.954 +YAKFOG Cr 0 4 24 3 3 6 Octahedral 0.961 +YAKGAT Cr 0 4 24 3 3 6 Octahedral 0.954 +UHIZAM Cr 0 4 24 3 3 6 Octahedral 0.968 +TADFEJ Cr 0 4 24 3 3 6 Octahedral 0.957 +NOGWIQ Cr 0 4 24 3 3 6 Octahedral 0.976 +VEWKIU Cr 0 4 24 3 3 6 Octahedral 0.962 +ZAXWUQ Cr 0 4 24 3 3 6 Octahedral 0.96 +GEQZUY Cr 0 4 24 3 3 6 Octahedral 0.96 +ULAYUC Cr 1 4 24 3 3 6 Octahedral 0.971 +WAGHET Cr 0 4 24 3 3 6 Octahedral 0.945 +LONRUC Cr 1 4 24 3 3 6 Octahedral 0.95 +XETGUY Cr -1 4 24 3 3 6 Octahedral 0.953 +OWOGUE Cr 0 4 24 3 3 6 Octahedral 0.939 +IHETOG Cr 0 4 24 3 3 6 Octahedral 0.953 +DOFVIG Cr 1 4 24 3 3 6 Octahedral 0.945 +DIJJIR Cr 0 4 24 3 3 6 Octahedral 0.962 +YIKVUJ Cr 1 4 24 3 3 6 Octahedral 0.953 +MACRCC Cr 2 4 24 3 3 6 Octahedral 0.986 +JOMNAA Cr 2 4 24 3 3 6 Octahedral 0.976 +NOBHET Cr 1 4 24 3 3 6 Octahedral 0.999 +EXOVIX Cr 0 4 24 3 3 6 Octahedral 0.958 +SEPHOL Cr 0 4 24 3 3 6 Octahedral 0.983 +UFAWOO Cr 0 4 24 3 3 6 Octahedral 0.965 +YATQER Cr 0 4 24 3 3 6 Octahedral 0.937 +YEFFOE Cr 0 4 24 3 3 6 Octahedral 0.968 +GULWUH Cr 0 4 24 3 3 6 Octahedral 0.931 +XUJXOP Cr 1 4 24 3 3 6 Octahedral 0.96 +YASHOP Cr -2 4 24 3 3 6 Octahedral 0.951 +VAFDIR Cr 0 4 24 3 3 6 Octahedral 0.958 +DUCQIC Cr 0 4 24 3 3 6 Octahedral 0.951 +FEZXUD Cr 1 4 24 3 3 6 Octahedral 0.976 +BUTDAV Cr 1 4 24 3 3 6 Octahedral 0.955 +DORZEP Cr -1 4 24 3 3 6 Octahedral 0.96 +BAPPOX Cr 2 4 24 3 3 6 Octahedral 0.979 +DULQAD Cr 2 4 24 3 3 6 Octahedral 0.954 +LEYSEN Cr 1 4 24 3 3 6 Octahedral 0.964 +YEKLUW Cr 0 4 24 3 3 6 Octahedral 0.972 +AFOMEQ Cr 0 4 24 3 3 6 Octahedral 0.961 +EYAYIN Cr -1 4 24 3 3 6 Octahedral 0.94 +BGUCRM Cr 0 4 24 3 3 6 Octahedral 0.94 +ENDACR Cr 3 4 24 3 3 6 Octahedral 0.982 +CUPCEV Cr 2 4 24 3 3 6 Octahedral 0.973 +ZAXYEC Cr 1 4 24 3 3 6 Octahedral 0.977 +QEQVEO Cr 0 4 24 3 3 6 Octahedral 0.95 +JEQNOJ Cr 1 4 24 3 3 6 Octahedral 0.961 +XIWBEK Cr 1 4 24 3 3 6 Octahedral 0.965 +HESMIB Cr 1 4 24 3 3 6 Octahedral 0.877 +MCENCR Cr 1 4 24 3 3 6 Octahedral 0.976 +MCEACR Cr 1 4 24 3 3 6 Octahedral 0.977 +TGLYCR Cr 0 4 24 3 3 6 Octahedral 0.958 +BOTHEX Cr 0 4 24 3 3 6 Octahedral 0.948 +LDHPCR10 Cr 0 4 24 3 3 6 Octahedral 0.965 +OFIXEI Cr 0 4 24 3 3 6 Octahedral 0.948 +KUSPUJ Cr 0 4 24 3 3 6 Octahedral 0.971 +NOJJAX Cr 1 4 24 3 3 6 Octahedral 0.955 +TUDJIL Cr -1 4 24 3 3 6 Octahedral 0.945 +VEXWON Cr 1 4 24 3 3 6 Octahedral 0.946 +SCYSCR Cr -1 4 24 3 3 6 Octahedral 0.969 +GORWIT Cr -1 4 24 3 3 6 Octahedral 0.988 +UYAKAI Cr 0 4 24 3 3 6 Octahedral 0.946 +UCOMEE Cr 3 4 24 3 3 6 Octahedral 0.94 +HOTVIW Cr -1 4 24 3 3 6 Octahedral 0.947 +QUTFIW Cr -3 4 24 3 3 6 Octahedral 0.942 +ZUZWEW Cr 0 4 24 3 3 6 Octahedral 0.95 +FEXROR Cr 0 4 24 3 3 6 Octahedral 0.968 +DUJCIU Cr -3 4 24 3 3 6 Octahedral 0.967 +DUTMIO10 Cr 0 4 24 3 3 6 Octahedral 0.997 +UGUNUF Cr 0 4 24 3 3 6 Octahedral 0.969 +JASCEL Cr -3 4 24 3 3 6 Octahedral 0.978 +BILWAX Cr 0 4 24 3 3 6 Octahedral 0.974 +BILVUQ Cr 0 4 24 3 3 6 Octahedral 0.983 +DAPSCR10 Cr 3 4 24 3 3 7 Pentagonal bipyramidal 1.019 +CUJSAD Mn -1 5 25 1 6 2 Linear 1.001 +JUHQIM Mn -1 1 25 1 6 5 Square pyramidal 0.791 +TACNAN Mn 0 1 25 1 6 6 Octahedral 0.84 +KOGFET Mn 0 1 25 1 6 6 Octahedral 0.837 +SEWBUR Mn 0 1 25 1 6 6 Octahedral 0.838 +DAXPEY Mn 0 1 25 1 6 6 Octahedral 0.871 +DAXPOI Mn 0 1 25 1 6 6 Octahedral 0.867 +RERCUP Mn 0 1 25 1 6 6 Octahedral 0.86 +FAZTEG Mn 0 1 25 1 6 6 Octahedral 0.874 +WIBLUO Mn 0 1 25 1 6 6 Octahedral 0.844 +FAWQEZ Mn 0 1 25 1 6 6 Octahedral 0.853 +GELRIY Mn 0 1 25 1 6 6 Octahedral 0.853 +PYRMNC Mn 0 1 25 1 6 6 Octahedral 0.843 +NOTPUK Mn 0 1 25 1 6 6 Octahedral 0.844 +VUCFAA Mn 0 1 25 1 6 6 Octahedral 0.845 +LOJLEE Mn -1 1 25 1 6 6 Octahedral 0.846 +SILYOC Mn 0 1 25 1 6 6 Octahedral 0.857 +MIMZAJ Mn 0 1 25 1 6 6 Octahedral 0.819 +HATNUM Mn 0 1 25 1 6 6 Octahedral 0.847 +YUDFOS Mn 0 1 25 1 6 6 Octahedral 0.847 +TAHYOQ Mn -1 1 25 1 6 6 Octahedral 0.822 +SICFAM Mn 0 1 25 1 6 6 Octahedral 0.883 +GOJVAC Mn 0 1 25 1 6 6 Octahedral 0.844 +LOVBUT Mn 1 1 25 1 6 6 Octahedral 0.847 +IHABID Mn 0 1 25 1 6 6 Octahedral 0.869 +GONTIM Mn 0 1 25 1 6 6 Octahedral 0.853 +VUVJUS Mn 0 1 25 1 6 6 Octahedral 0.852 +BURMIL Mn 0 1 25 1 6 6 Octahedral 0.82 +FEHKUZ Mn 0 1 25 1 6 6 Octahedral 0.868 +SICFEQ Mn 0 1 25 1 6 6 Octahedral 0.881 +HAWNUQ Mn 1 1 25 1 6 6 Octahedral 0.87 +IHIGEN Mn 0 1 25 1 6 6 Octahedral 0.874 +FAZTIK Mn 0 1 25 1 6 6 Octahedral 0.875 +ZILVUO Mn 1 1 25 1 6 6 Octahedral 0.86 +NAKWUS Mn 0 1 25 1 6 6 Octahedral 0.894 +HATNOG Mn 1 1 25 1 6 6 Octahedral 0.863 +FEHLIO Mn 0 1 25 1 6 6 Octahedral 0.872 +ISURIY Mn 1 1 25 1 6 6 Octahedral 0.852 +IPOROX Mn 0 1 25 1 6 6 Octahedral 0.874 +HATPAU Mn 0 1 25 1 6 6 Octahedral 0.856 +CIMHEL Mn 1 1 25 1 6 6 Octahedral 0.852 +GENBUW Mn 0 1 25 1 6 6 Octahedral 0.842 +CIHYEY Mn 0 1 25 1 6 6 Octahedral 0.821 +GEMZON Mn 1 1 25 1 6 6 Octahedral 0.842 +CIMGOU Mn 1 1 25 1 6 6 Octahedral 0.858 +ISUQUJ Mn 1 1 25 1 6 6 Octahedral 0.83 +SEKHAT Mn 1 1 25 1 6 6 Octahedral 0.823 +CIMBUV Mn 1 1 25 1 6 6 Octahedral 0.84 +NAYMUY Mn 0 1 25 1 6 6 Octahedral 0.883 +SAJKUN Mn 1 1 25 1 6 6 Octahedral 0.885 +UTODAK Mn 0 1 25 1 6 6 Octahedral 0.878 +SIFWUB Mn 1 1 25 1 6 6 Octahedral 0.836 +BETQAT Mn 1 1 25 1 6 6 Octahedral 0.876 +WUGCAD Mn 0 6 25 2 5 2 Bent (V-shape, 109.47°) 0.913 +KAGJOU Mn 0 6 25 2 5 2 Linear 0.869 +NITVES Mn -1 6 25 2 5 3 Trigonal planar 0.998 +CIVREF Mn -1 6 25 2 5 3 Trigonal planar 1.014 +WUGCIL Mn 0 6 25 2 5 3 Trigonal planar 0.968 +CUWMOW Mn -1 6 25 2 5 3 Trigonal planar 1.002 +CORLIE Mn -1 6 25 2 5 3 Trigonal planar 0.953 +LUYBEP Mn -1 6 25 2 5 3 fac-Trivacant octahedron 1.047 +YIZNOL Mn 0 6 25 2 5 4 Seesaw 1.065 +JEXKED Mn 0 6 25 2 5 4 Seesaw 1.009 +IZOJEO Mn -1 6 25 2 5 4 Seesaw 1.009 +WURXOZ Mn -2 6 25 2 5 4 Tetrahedral 0.938 +SUBGOO Mn -1 6 25 2 5 4 Tetrahedral 0.96 +SUBQAK Mn 0 6 25 2 5 4 Tetrahedral 0.984 +LOLTOV Mn 0 6 25 2 5 4 Tetrahedral 0.986 +JOBJUI Mn 0 6 25 2 5 4 Tetrahedral 0.96 +MIZSEV Mn 0 6 25 2 5 4 Tetrahedral 0.967 +XOTLUO Mn -2 6 25 2 5 4 Tetrahedral 1.014 +EZOYIC Mn -2 6 25 2 5 4 Tetrahedral 1.017 +VAWRIU Mn 0 6 25 2 5 4 Tetrahedral 1.094 +BUSMOR Mn 0 6 25 2 5 4 Tetrahedral 1.077 +NADLIO Mn 0 6 25 2 5 4 Tetrahedral 1.015 +NADLOU Mn 0 6 25 2 5 4 Tetrahedral 1.01 +BUBHEM Mn 0 6 25 2 5 4 Tetrahedral 1.088 +ASUVIT Mn 0 6 25 2 5 4 Tetrahedral 1.091 +CAZZUY Mn 0 6 25 2 5 4 Tetrahedral 1.072 +ZAYJOB Mn -2 6 25 2 5 4 Tetrahedral 0.963 +CUVZIE Mn -1 6 25 2 5 4 Tetrahedral 0.964 +YIBHUM Mn -2 6 25 2 5 4 Tetrahedral 0.973 +TOKRAN Mn 0 6 25 2 5 4 Tetrahedral 0.991 +VAYWEY Mn 0 6 25 2 5 4 Tetrahedral 0.975 +HUTCOR Mn 0 6 25 2 5 4 Tetrahedral 1.011 +HURSOD Mn -1 6 25 2 5 4 Tetrahedral 1.009 +JUCJID Mn -2 6 25 2 5 4 Tetrahedral 0.947 +YONWUT Mn -1 6 25 2 5 4 Tetrahedral 0.97 +GAYXEJ Mn -1 6 25 2 5 4 Tetrahedral 0.958 +ZELWAO Mn 0 6 25 2 5 4 Tetrahedral 1.035 +WEFCOZ Mn 0 6 25 2 5 4 Tetrahedral 0.946 +WEFCIT Mn 0 6 25 2 5 4 Tetrahedral 0.966 +SUFDEC Mn 0 6 25 2 5 4 Tetrahedral 1.053 +CODLIS Mn 0 6 25 2 5 4 Tetrahedral 0.976 +MUDMIJ Mn -2 6 25 2 5 4 Tetrahedral 0.958 +JIZQUG Mn 0 6 25 2 5 4 Tetrahedral 1.052 +BEXLIC Mn 0 6 25 2 5 4 Tetrahedral 0.99 +HIZDID Mn 0 6 25 2 5 4 Tetrahedral 1.012 +KOZZEE01 Mn 0 6 25 2 5 4 Tetrahedral 1.038 +JIXLAD Mn 0 6 25 2 5 4 Tetrahedral 1.003 +CEZYOW Mn 0 6 25 2 5 4 Tetrahedral 1.028 +HIPKUO Mn 0 6 25 2 5 4 Tetrahedral 1.009 +CIRDEN Mn 0 6 25 2 5 4 Tetrahedral 1.009 +COYLEH10 Mn 0 6 25 2 5 4 Tetrahedral 1.064 +PACHEI Mn 0 6 25 2 5 4 Tetrahedral 0.999 +GOVDOK Mn 0 6 25 2 5 4 Tetrahedral 0.997 +IJIGUD Mn 0 6 25 2 5 4 Tetrahedral 1.124 +CEMSIW Mn -2 6 25 2 5 4 Tetrahedral 0.995 +TIZJES Mn 0 6 25 2 5 5 Square pyramidal 1.02 +WERHUZ Mn 0 6 25 2 5 5 Square pyramidal 1.041 +OZUSOT Mn 0 6 25 2 5 5 Square pyramidal 1.029 +ROFKUV Mn 0 6 25 2 5 5 Square pyramidal 1.042 +WITBOT Mn 0 6 25 2 5 5 Square pyramidal 1.081 +AJICUT Mn 0 6 25 2 5 5 Square pyramidal 1.044 +NOKSOX Mn 0 6 25 2 5 5 Square pyramidal 1.104 +TOPJUF Mn 0 6 25 2 5 5 Square pyramidal 1.09 +WOTRUU Mn 0 6 25 2 5 5 Square pyramidal 1.037 +QAFCOS Mn 0 6 25 2 5 5 Square pyramidal 1.065 +WASDOM Mn 0 6 25 2 5 5 Square pyramidal 1.064 +KEJTAV Mn -1 6 25 2 5 5 Square pyramidal 1.062 +LALDEH Mn -3 6 25 2 5 5 Square pyramidal 1.054 +RAGLOD Mn 0 6 25 2 5 5 Square pyramidal 1.071 +ZEYWAD Mn 0 6 25 2 5 5 Square pyramidal 1.06 +UBODUK Mn 0 6 25 2 5 5 Square pyramidal 1.037 +FEZTEM Mn 1 6 25 2 5 5 Square pyramidal 1.063 +JEJTUN Mn 0 6 25 2 5 5 Square pyramidal 1.088 +GOKREF Mn 1 6 25 2 5 5 Square pyramidal 1.097 +SOHKAC Mn 0 6 25 2 5 5 Square pyramidal 1.076 +AVALAL Mn 0 6 25 2 5 5 Square pyramidal 1.042 +BAWLAN Mn 0 6 25 2 5 5 Square pyramidal 1.075 +CEZYUC Mn 0 6 25 2 5 5 Square pyramidal 1.101 +SINDIC Mn 0 6 25 2 5 5 Square pyramidal 1.047 +ROYGUJ Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.146 +XAHLEY Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.046 +HAHXOE Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.03 +BRURMN Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.026 +ICATIS Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.105 +JOTNIS Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.054 +GOQZIX Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.061 +MEIMMN Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.063 +HUMZEW Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.088 +WUFFAF Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.05 +BACNOK Mn 1 6 25 2 5 5 Trigonal bipyramidal 1.07 +HAHYAR Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.042 +TRENCM Mn 1 6 25 2 5 5 Trigonal bipyramidal 1.08 +MUXVEJ Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.082 +SIQZOH Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.07 +YECSOQ Mn 1 6 25 2 5 5 Trigonal bipyramidal 1.068 +FOXGAB Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.065 +XEZNUM Mn 0 6 25 2 5 5 Trigonal bipyramidal 1.073 +ERIPEB Mn 2 6 25 2 5 5 Trigonal bipyramidal 1.095 +DIMPEU11 Mn 0 6 25 2 5 6 Octahedral 1.112 +RAHXAB Mn 0 6 25 2 5 6 Octahedral 1.106 +AXITAC Mn 0 6 25 2 5 6 Octahedral 1.097 +IPIBUE Mn 0 6 25 2 5 6 Octahedral 1.111 +AZUMAJ Mn 0 6 25 2 5 6 Octahedral 1.106 +GOXXEW Mn 0 6 25 2 5 6 Octahedral 1.086 +IHALUZ Mn 0 6 25 2 5 6 Octahedral 1.117 +JAHBID Mn 0 6 25 2 5 6 Octahedral 1.133 +LILZAJ Mn 1 6 25 2 5 6 Octahedral 1.095 +KEFQES Mn 1 6 25 2 5 6 Octahedral 1.101 +FALPOA Mn 1 6 25 2 5 6 Octahedral 1.097 +NAQQAY Mn 0 2 25 2 5 6 Octahedral 0.868 +EHIWIC Mn -2 6 25 2 5 6 Octahedral 1.099 +IDIKUD Mn 0 6 25 2 5 6 Octahedral 1.101 +VIFWUD Mn 0 6 25 2 5 6 Octahedral 1.107 +NETCAT Mn 0 6 25 2 5 6 Octahedral 1.105 +AZISUY Mn 0 6 25 2 5 6 Octahedral 1.11 +XEZTEE Mn 0 6 25 2 5 6 Octahedral 1.104 +GEPBEJ Mn 0 6 25 2 5 6 Octahedral 1.109 +IXEPAE Mn 0 6 25 2 5 6 Octahedral 1.109 +WEXYIH Mn 0 6 25 2 5 6 Octahedral 1.106 +CGLYMN Mn 0 6 25 2 5 6 Octahedral 1.092 +KESFEV Mn 0 6 25 2 5 6 Octahedral 1.142 +IGUQUY Mn 1 6 25 2 5 6 Octahedral 1.114 +CIDKEI Mn 0 6 25 2 5 6 Octahedral 1.102 +IRONOS Mn 1 6 25 2 5 6 Octahedral 1.108 +YIJDED Mn 1 6 25 2 5 6 Octahedral 1.096 +POWROJ Mn 1 6 25 2 5 6 Octahedral 1.091 +JOXCOQ Mn 0 6 25 2 5 6 Octahedral 1.115 +KEFQOC Mn 1 6 25 2 5 6 Octahedral 1.1 +TEBVIH Mn 2 6 25 2 5 6 Octahedral 1.145 +YANKOQ Mn 2 6 25 2 5 6 Octahedral 1.122 +TIKYOC Mn 0 6 25 2 5 6 Octahedral 1.15 +ITERIJ Mn 0 6 25 2 5 6 Octahedral 1.104 +LEPSEF Mn 1 6 25 2 5 6 Octahedral 1.096 +SOHKEG Mn 0 6 25 2 5 6 Octahedral 1.135 +AMATEQ Mn -2 6 25 2 5 6 Octahedral 1.088 +PAYVAO Mn 2 6 25 2 5 6 Octahedral 1.11 +IWOWEX Mn 0 6 25 2 5 6 Octahedral 1.101 +ZEHPAD Mn 0 6 25 2 5 6 Octahedral 1.112 +LILBOY Mn 0 6 25 2 5 6 Octahedral 1.104 +LEXQAG Mn 0 6 25 2 5 6 Octahedral 1.143 +SOHJIJ Mn 0 6 25 2 5 6 Octahedral 1.117 +YOYVOY Mn 0 6 25 2 5 6 Octahedral 1.102 +UMIPIP Mn 2 6 25 2 5 6 Octahedral 1.109 +FUWVOJ Mn 0 6 25 2 5 6 Octahedral 1.101 +QOLZOH Mn 0 6 25 2 5 6 Octahedral 1.115 +EQEFAI Mn 0 6 25 2 5 6 Octahedral 1.103 +LOYYUT Mn 0 6 25 2 5 6 Octahedral 1.108 +PEJCOZ Mn 0 6 25 2 5 6 Octahedral 1.146 +WAMLEC Mn 0 6 25 2 5 6 Octahedral 1.089 +JIPDUI Mn 0 6 25 2 5 6 Octahedral 1.101 +FESXOQ Mn 0 6 25 2 5 6 Octahedral 1.094 +CETGOX Mn 2 6 25 2 5 6 Octahedral 1.113 +PIKZIT Mn 0 6 25 2 5 6 Octahedral 1.118 +OMIXAL Mn 0 6 25 2 5 6 Octahedral 1.112 +AQSUMN Mn 0 6 25 2 5 6 Octahedral 1.086 +QOYWIN Mn 0 6 25 2 5 6 Octahedral 1.037 +TECFIR Mn 0 6 25 2 5 6 Octahedral 1.09 +TOLMEO Mn 0 6 25 2 5 6 Octahedral 1.094 +BEMWUM Mn 2 6 25 2 5 6 Octahedral 1.091 +AGUBAF Mn 0 6 25 2 5 6 Octahedral 1.085 +AGLCMN Mn 0 6 25 2 5 6 Octahedral 1.086 +WIFSEJ Mn 0 6 25 2 5 6 Octahedral 1.094 +IFOPAU Mn -1 6 25 2 5 6 Octahedral 1.087 +NEHWIH Mn 0 6 25 2 5 6 Octahedral 1.122 +CAHGAW Mn 0 6 25 2 5 6 Trigonal prismatic 1.117 +KIYWAR Mn 0 6 25 2 5 6 Trigonal prismatic 1.137 +MAMCOS Mn 1 6 25 2 5 6 Trigonal prismatic 1.114 +WULSIF Mn 1 6 25 2 5 6 Trigonal prismatic 1.108 +VAVDOM Mn 1 6 25 2 5 6 Trigonal prismatic 1.105 +EVOJEE Mn 2 6 25 2 5 6 Trigonal prismatic 1.135 +FAHFUQ Mn 1 6 25 2 5 6 Trigonal prismatic 1.113 +OMUHAG Mn 0 6 25 2 5 6 Trigonal prismatic 1.135 +XEHYER Mn 0 6 25 2 5 6 Trigonal prismatic 1.162 +RAFLIV Mn 0 6 25 2 5 6 Trigonal prismatic 1.119 +UYAHOS Mn 0 6 25 2 5 6 Trigonal prismatic 1.099 +TOPKAM Mn 0 6 25 2 5 6 Trigonal prismatic 1.165 +BIPJER Mn -2 6 25 2 5 6 Trigonal prismatic 1.096 +LERZOX Mn 0 6 25 2 5 6 Trigonal prismatic 1.117 +SOMTIY Mn 1 6 25 2 5 7 Capped trigonal prismatic 1.197 +TAVWAP Mn 1 6 25 2 5 7 Capped trigonal prismatic 1.179 +TAFTAV Mn 2 6 25 2 5 7 Capped trigonal prismatic 1.189 +HIXZUJ Mn 2 6 25 2 5 7 Capped trigonal prismatic 1.179 +ROPBON Mn 2 6 25 2 5 7 Capped trigonal prismatic 1.171 +WAXJIQ Mn 0 6 25 2 5 7 Capped trigonal prismatic 1.165 +SAFTUP Mn 0 6 25 2 5 7 Capped trigonal prismatic 1.171 +SAFTID Mn 0 6 25 2 5 7 Capped trigonal prismatic 1.168 +ZEBCEQ Mn 0 6 25 2 5 7 Capped trigonal prismatic 1.17 +SAFTOJ Mn 0 6 25 2 5 7 Capped trigonal prismatic 1.171 +XAGLAU Mn 1 6 25 2 5 7 Capped trigonal prismatic 1.188 +GARQIB Mn 0 6 25 2 5 7 Capped trigonal prismatic 1.166 +MUCBIV Mn 2 6 25 2 5 7 Capped trigonal prismatic 1.164 +UDUGUY Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.15 +XIDNON Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.163 +PIHWEI Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.172 +DUQQAJ Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.15 +BUCRAS Mn 1 6 25 2 5 7 Pentagonal bipyramidal 1.136 +OJUHAF Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.167 +ATOMOM Mn 2 6 25 2 5 7 Pentagonal bipyramidal 1.153 +WABMOB Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.143 +OKEMUO Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.133 +TIRDUU Mn 2 6 25 2 5 7 Pentagonal bipyramidal 1.159 +UHEPED Mn 2 6 25 2 5 7 Pentagonal bipyramidal 1.15 +XIMHAD Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.165 +CEDXIT Mn 2 6 25 2 5 7 Pentagonal bipyramidal 1.142 +OJEBUB Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.145 +SAFTEZ Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.163 +SEPPUZ Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.167 +UGEKAT Mn 1 6 25 2 5 7 Pentagonal bipyramidal 1.153 +DITQEE Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.153 +XAHLOI Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.16 +RIHLAY Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.156 +UNONOB Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.174 +TOPJEO Mn 2 6 25 2 5 7 Pentagonal bipyramidal 1.146 +QETLAF Mn 1 6 25 2 5 7 Pentagonal bipyramidal 1.155 +TEVLAK Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.166 +TUSBOZ Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.171 +NUNTAR Mn 0 6 25 2 5 7 Pentagonal bipyramidal 1.142 +JOXJAH Mn 2 6 25 2 5 8 Cube 1.24 +HUDGOC Mn 2 6 25 2 5 8 Dodecahedral 1.286 +NEPMEC Mn -2 6 25 2 5 8 Dodecahedral 1.209 +SAFVAX Mn 0 6 25 2 5 8 Dodecahedral 1.201 +ROPBIH Mn 0 6 25 2 5 8 Dodecahedral 1.211 +NIJZEM Mn 0 6 25 2 5 8 Dodecahedral 1.206 +BIKDAA Mn 0 6 25 2 5 8 Dodecahedral 1.215 +OLENAU Mn 0 6 25 2 5 8 Dodecahedral 1.31 +KAXMEB Mn 0 5 25 3 4 3 Trigonal planar 0.848 +ZOWPAF Mn 0 5 25 3 4 4 Square planar 0.95 +DOVKUV Mn 0 5 25 3 4 5 Square pyramidal 0.905 +ZERDIJ Mn 0 5 25 3 4 5 Square pyramidal 0.894 +UBOFOG Mn 0 5 25 3 4 5 Square pyramidal 0.94 +LILLEZ Mn 0 5 25 3 4 5 Square pyramidal 0.927 +ROMSUI Mn 0 5 25 3 4 5 Square pyramidal 0.934 +BEPRET Mn 0 5 25 3 4 5 Square pyramidal 0.906 +BUXYIE Mn 0 5 25 3 4 5 Square pyramidal 0.942 +YAGBIR Mn 0 5 25 3 4 5 Square pyramidal 0.924 +UZEVUR Mn 1 5 25 3 4 5 Square pyramidal 0.985 +KAWCIU Mn 0 5 25 3 4 5 Square pyramidal 0.913 +AWOLOO Mn 0 5 25 3 4 5 Square pyramidal 0.924 +PENHOI Mn -1 5 25 3 4 5 Square pyramidal 0.927 +WOPGIS Mn -1 5 25 3 4 5 Square pyramidal 0.95 +FOCSOF Mn 0 5 25 3 4 5 Trigonal bipyramidal 0.959 +VULMOE Mn 0 5 25 3 4 5 Trigonal bipyramidal 1.015 +NEDGIM Mn 0 5 25 3 4 5 Trigonal bipyramidal 0.927 +WACDAF Mn 0 5 25 3 4 5 Trigonal bipyramidal 0.935 +VAWNIQ Mn 0 5 25 3 4 5 Trigonal bipyramidal 0.942 +NIWTOC Mn -1 5 25 3 4 5 Trigonal bipyramidal 0.944 +MOZRIC Mn 0 5 25 3 4 5 Trigonal bipyramidal 0.924 +COJGUG Mn 0 5 25 3 4 5 Trigonal bipyramidal 0.937 +COJHAN Mn -1 5 25 3 4 5 Trigonal bipyramidal 0.924 +HIMLIZ Mn 0 5 25 3 4 6 Octahedral 0.987 +WUYFIH Mn -3 3 25 3 4 6 Octahedral 0.911 +PAXVAM Mn 0 5 25 3 4 6 Octahedral 0.98 +TUDJEH Mn 0 5 25 3 4 6 Octahedral 0.99 +VUMSUT Mn 0 5 25 3 4 6 Octahedral 0.986 +PUHWUL Mn 1 5 25 3 4 6 Octahedral 1.006 +AXISIJ Mn 0 5 25 3 4 6 Octahedral 0.99 +FIZQIP Mn 1 5 25 3 4 6 Octahedral 0.992 +EJEVEV Mn 1 5 25 3 4 6 Octahedral 1.017 +RULVEA Mn 0 5 25 3 4 6 Octahedral 0.988 +BEPTIA Mn 0 5 25 3 4 6 Octahedral 0.987 +PUJBAX Mn -2 5 25 3 4 6 Octahedral 0.982 +JAFVOB Mn -1 5 25 3 4 6 Octahedral 0.981 +ALIYOJ Mn 0 5 25 3 4 6 Octahedral 0.988 +WIVDUB Mn 0 5 25 3 4 6 Octahedral 0.981 +CAXVAZ Mn 1 5 25 3 4 6 Octahedral 0.986 +TAKDEQ Mn -1 5 25 3 4 6 Octahedral 0.983 +SUPKIY Mn 1 5 25 3 4 6 Octahedral 0.988 +ITEREF Mn 0 5 25 3 4 6 Octahedral 0.996 +HOCREX Mn 1 5 25 3 4 6 Octahedral 0.998 +XELNAD Mn 1 5 25 3 4 6 Octahedral 1.017 +CEXJEW Mn 1 5 25 3 4 6 Octahedral 1.024 +SAPJUO Mn 1 5 25 3 4 6 Octahedral 0.996 +TEHGAQ Mn 1 5 25 3 4 6 Octahedral 0.977 +VAGCAH Mn 1 5 25 3 4 6 Octahedral 0.996 +REXCUS Mn 0 5 25 3 4 6 Octahedral 0.968 +JEDJAE Mn -5 5 25 3 4 6 Octahedral 0.996 +VOBCEV Mn -3 5 25 3 4 6 Octahedral 0.971 +MNMTBH Mn 0 5 25 3 4 6 Octahedral 0.979 +MOTCMN Mn 0 5 25 3 4 6 Octahedral 1.015 +NUNWUP Fe 0 3 26 0 6 4 Tetrahedral 0.798 +FONPUT Fe 0 1 26 0 6 5 Square pyramidal 0.822 +MALGAI Fe 0 1 26 0 6 5 Square pyramidal 0.814 +CAFTIM Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.824 +SIXDUB Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.805 +JASRIF Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.82 +GAMQEQ Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.811 +LASXIM Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.814 +ZURDEV Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.814 +FASSEX Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.797 +ISIYAK Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.817 +POPFEC10 Fe 0 1 26 0 6 5 Trigonal bipyramidal 0.805 +QIVYEZ Fe 0 5 26 2 6 2 Linear 0.996 +FEGVOE Fe 0 5 26 2 6 2 Linear 0.866 +DABSOP Fe 0 5 26 2 6 3 T-shaped 0.948 +KUGWIT Fe 0 5 26 2 6 3 T-shaped 0.942 +ULOVUO Fe 0 5 26 2 6 3 Trigonal planar 0.939 +INEDEM Fe 0 5 26 2 6 3 Trigonal planar 0.911 +QUDDOJ Fe -1 5 26 2 6 3 Trigonal planar 0.988 +NIDMOE Fe 0 5 26 2 6 3 Trigonal planar 0.989 +ULOXUQ Fe 0 5 26 2 6 3 Trigonal planar 0.962 +EYITAJ Fe 0 5 26 2 6 3 Trigonal planar 0.966 +FIYFEB Fe -1 5 26 2 6 3 Trigonal planar 0.99 +BIJJAG Fe 0 5 26 2 6 3 Trigonal planar 0.959 +RIRFEF Fe 0 5 26 2 6 3 Trigonal planar 0.971 +VEVWEY Fe -1 5 26 2 6 3 Trigonal planar 0.954 +HURSIX Fe -1 5 26 2 6 3 Trigonal planar 0.927 +LIHRUR Fe -1 5 26 2 6 3 Trigonal planar 0.923 +NASJAT Fe 0 5 26 2 6 3 Trigonal planar 0.945 +BOXSEO Fe -1 5 26 2 6 3 Trigonal planar 0.943 +QUSHET Fe -1 5 26 2 6 3 Trigonal planar 0.986 +ONUQAR Fe 0 5 26 2 6 3 Trigonal planar 0.931 +GAXZEN Fe 0 5 26 2 6 3 Trigonal planar 0.989 +VEYTAW Fe -1 5 26 2 6 3 Trigonal planar 0.914 +SAYZAV Fe 0 5 26 2 6 4 Seesaw 1.029 +GUCBAJ Fe 0 5 26 2 6 4 Seesaw 1.012 +SABDAB Fe 0 5 26 2 6 4 Seesaw 1.029 +FEVFET Fe 0 5 26 2 6 4 Seesaw 1.054 +ODUXIX Fe 0 5 26 2 6 4 Seesaw 1.018 +LUNGOS Fe 0 5 26 2 6 4 Seesaw 0.986 +LUYXUZ Fe 0 5 26 2 6 4 Seesaw 1.012 +JEXKIH Fe 0 5 26 2 6 4 Seesaw 1.009 +DALPEO Fe 0 5 26 2 6 4 Seesaw 1.002 +ILOLOM Fe 0 5 26 2 6 4 Seesaw 1.023 +TICMAW Fe 0 5 26 2 6 4 Seesaw 1.035 +IXAROP Fe 0 5 26 2 6 4 Seesaw 1.017 +AHUGOA Fe 0 5 26 2 6 4 Seesaw 0.988 +MASNUR Fe 0 5 26 2 6 4 Seesaw 1.001 +JIXLEH Fe 0 5 26 2 6 4 Seesaw 1.021 +GAMZEA Fe 0 3 26 2 6 4 Square planar 0.944 +GAMZAW Fe 0 3 26 2 6 4 Square planar 0.938 +QAVFID Fe 0 5 26 2 6 4 Square planar 1.081 +QOPWOK Fe 0 3 26 2 6 4 Square planar 0.927 +GEPPEX Fe 0 3 26 2 6 4 Square planar 0.869 +FOSKEF Fe 1 5 26 2 6 4 Square planar 1.011 +RALNUO Fe 0 3 26 2 6 4 Square planar 0.883 +SUSGEV Fe 0 3 26 2 6 4 Square planar 0.893 +XIYPAY Fe -2 5 26 2 6 4 Square planar 1.0 +UTASAM Fe -2 5 26 2 6 4 Square planar 1.006 +MAJYOM Fe -2 3 26 2 6 4 Square planar 0.89 +XIMSAO Fe -2 5 26 2 6 4 Tetrahedral 0.948 +OYILIT Fe -1 5 26 2 6 4 Tetrahedral 0.962 +ULOVEY Fe 0 5 26 2 6 4 Tetrahedral 1.012 +QOXKUL Fe 0 5 26 2 6 4 Tetrahedral 0.963 +YOJVOJ Fe 0 5 26 2 6 4 Tetrahedral 0.965 +DECKED Fe 0 5 26 2 6 4 Tetrahedral 0.967 +DECLAA Fe 0 5 26 2 6 4 Tetrahedral 0.973 +UBOMEG Fe 0 5 26 2 6 4 Tetrahedral 0.95 +NENWEK Fe 0 5 26 2 6 4 Tetrahedral 0.97 +AJALIH Fe 0 5 26 2 6 4 Tetrahedral 0.965 +MEJZAF Fe 0 5 26 2 6 4 Tetrahedral 0.96 +YOWZOB Fe 0 5 26 2 6 4 Tetrahedral 1.036 +RUMZOP Fe 0 5 26 2 6 4 Tetrahedral 1.066 +OYUKOK Fe 0 5 26 2 6 4 Tetrahedral 1.008 +OTOTEX Fe 0 5 26 2 6 4 Tetrahedral 0.985 +WUSFEX Fe 0 5 26 2 6 4 Tetrahedral 0.985 +HONGAV Fe 0 5 26 2 6 4 Tetrahedral 0.977 +OZIREV Fe 0 5 26 2 6 4 Tetrahedral 1.077 +UNEHIG Fe 1 5 26 2 6 4 Tetrahedral 1.042 +QAYBAT Fe 0 5 26 2 6 4 Tetrahedral 1.017 +DUSSOB Fe 0 5 26 2 6 4 Tetrahedral 1.006 +ASUTUD Fe 0 5 26 2 6 4 Tetrahedral 1.102 +RENGAV Fe 0 5 26 2 6 4 Tetrahedral 1.116 +EDIDED Fe 0 5 26 2 6 4 Tetrahedral 0.998 +GAMZIE Fe 0 5 26 2 6 4 Tetrahedral 1.042 +UPIMAI Fe 0 5 26 2 6 4 Tetrahedral 0.992 +GAMZOK Fe 0 5 26 2 6 4 Tetrahedral 1.019 +HIPLIC Fe 0 5 26 2 6 4 Tetrahedral 1.073 +QOSGEL Fe 1 5 26 2 6 4 Tetrahedral 1.05 +RIPHEG Fe 0 5 26 2 6 4 Tetrahedral 1.04 +KUGXOA Fe 0 5 26 2 6 4 Tetrahedral 0.981 +MASPED Fe 0 5 26 2 6 4 Tetrahedral 1.039 +SOQLUF Fe 0 5 26 2 6 4 Tetrahedral 1.036 +RUWKEA Fe 0 5 26 2 6 4 Tetrahedral 1.058 +OGEVUS Fe 0 5 26 2 6 4 Tetrahedral 1.019 +RIRFIJ Fe -1 5 26 2 6 4 Tetrahedral 0.992 +KISMIJ Fe -2 5 26 2 6 4 Tetrahedral 0.979 +WEHWAI Fe -1 5 26 2 6 4 Tetrahedral 0.985 +OYIKOY Fe -1 5 26 2 6 4 Tetrahedral 0.981 +OYIKUE Fe -1 5 26 2 6 4 Tetrahedral 0.98 +VIBRIK Fe 0 5 26 2 6 4 Tetrahedral 1.011 +PUXRAC Fe 0 5 26 2 6 4 Tetrahedral 0.992 +CORSIO Fe 0 5 26 2 6 4 Tetrahedral 0.983 +CORSUA Fe 0 5 26 2 6 4 Tetrahedral 0.994 +DECKAZ Fe 0 5 26 2 6 4 Tetrahedral 0.983 +DECKUT Fe 0 5 26 2 6 4 Tetrahedral 0.991 +DECLEE Fe 0 5 26 2 6 4 Tetrahedral 0.986 +IROJEF Fe 0 5 26 2 6 4 Tetrahedral 0.968 +AJALED Fe 0 5 26 2 6 4 Tetrahedral 0.984 +DAJBAS Fe 0 5 26 2 6 4 Tetrahedral 0.973 +TACSAU Fe 0 5 26 2 6 4 Tetrahedral 0.975 +HIPLAU Fe 0 5 26 2 6 4 Tetrahedral 1.037 +VISVEA Fe 0 5 26 2 6 4 Tetrahedral 1.014 +GEFTIV Fe 0 5 26 2 6 4 Tetrahedral 0.991 +RANJIA Fe 1 5 26 2 6 4 Tetrahedral 1.022 +NASJEX Fe 0 5 26 2 6 4 Tetrahedral 1.006 +AQUGEY Fe 0 5 26 2 6 4 Tetrahedral 1.037 +NUZSUX Fe 0 5 26 2 6 4 Tetrahedral 1.052 +MEJYOS Fe -2 5 26 2 6 4 Tetrahedral 0.946 +JUQDAA Fe -1 5 26 2 6 4 Tetrahedral 0.964 +ISIBIW Fe 0 5 26 2 6 4 Tetrahedral 0.973 +HOYHOS Fe 0 5 26 2 6 4 Tetrahedral 0.985 +VUMFOA01 Fe 0 5 26 2 6 4 Tetrahedral 0.972 +JUWGUD Fe 0 5 26 2 6 4 Tetrahedral 0.967 +KELXUU Fe 0 5 26 2 6 4 Tetrahedral 0.97 +INUVUJ Fe 0 5 26 2 6 4 Tetrahedral 1.023 +APUDUM Fe 0 5 26 2 6 4 Tetrahedral 0.989 +TEQPUA Fe -1 5 26 2 6 4 Tetrahedral 1.008 +INUXEV Fe 0 5 26 2 6 4 Tetrahedral 1.016 +YUBDAB Fe 0 5 26 2 6 4 Tetrahedral 0.989 +UGINOP Fe 0 5 26 2 6 4 Tetrahedral 1.047 +KUGXUG Fe 0 5 26 2 6 4 Tetrahedral 0.995 +MOFMAV Fe 0 5 26 2 6 4 Tetrahedral 0.981 +XOBBIZ Fe 0 5 26 2 6 4 Tetrahedral 1.011 +KIQMAB Fe 0 5 26 2 6 4 Tetrahedral 1.022 +KUGXIU Fe 0 5 26 2 6 4 Tetrahedral 0.998 +SAKWOS Fe 0 5 26 2 6 4 Tetrahedral 1.062 +MASPAZ Fe 0 5 26 2 6 4 Tetrahedral 1.005 +QUSJAQ Fe 0 5 26 2 6 4 Tetrahedral 0.974 +IXASAC Fe 0 5 26 2 6 4 Tetrahedral 1.021 +EGAMUX Fe 0 1 26 2 6 4 Tetrahedral 0.802 +FIMPIB Fe -1 1 26 2 6 4 Tetrahedral 0.787 +ZAZNOD Fe -1 5 26 2 6 4 Tetrahedral 0.986 +RIVWEA Fe 0 5 26 2 6 4 Tetrahedral 1.016 +HECVER Fe 0 5 26 2 6 4 Tetrahedral 1.034 +YECRII Fe 0 5 26 2 6 4 Tetrahedral 1.017 +ITEXIO Fe -1 5 26 2 6 4 Tetrahedral 0.989 +LUGPAE Fe 0 5 26 2 6 4 Tetrahedral 1.008 +YEWSOI Fe 0 5 26 2 6 4 Tetrahedral 0.977 +YEWSUO Fe 0 5 26 2 6 4 Tetrahedral 0.975 +GOFXIK Fe -2 5 26 2 6 4 Tetrahedral 0.967 +MUQPOF Fe -2 5 26 2 6 4 Tetrahedral 0.983 +RIRFAB Fe -2 5 26 2 6 4 Tetrahedral 0.95 +VEYWOO Fe 0 5 26 2 6 5 Square pyramidal 1.057 +ZUMSEH Fe 0 5 26 2 6 5 Square pyramidal 1.048 +MINWIR Fe 0 5 26 2 6 5 Square pyramidal 1.054 +CUCWEE Fe 0 5 26 2 6 5 Square pyramidal 1.052 +ZELDAX Fe 0 5 26 2 6 5 Square pyramidal 1.05 +ULITUH Fe 0 5 26 2 6 5 Square pyramidal 1.114 +LUTFAJ Fe 0 1 26 2 6 5 Square pyramidal 0.852 +CEMWIC Fe 0 5 26 2 6 5 Square pyramidal 1.106 +FOQBOC Fe -1 5 26 2 6 5 Square pyramidal 1.021 +KAXYUE Fe 0 1 26 2 6 5 Square pyramidal 0.885 +MARJIZ Fe 1 5 26 2 6 5 Square pyramidal 1.112 +TEBKOC Fe -1 5 26 2 6 5 Square pyramidal 1.03 +WEMWAO Fe 0 1 26 2 6 5 Square pyramidal 0.851 +QITBEA Fe 0 5 26 2 6 5 Square pyramidal 1.098 +OCUJOL Fe 0 5 26 2 6 5 Square pyramidal 1.074 +QIZCAF Fe 0 5 26 2 6 5 Square pyramidal 1.064 +QIXDIM Fe 0 5 26 2 6 5 Square pyramidal 1.074 +KIKNUQ Fe 0 5 26 2 6 5 Square pyramidal 1.063 +XOMCOS Fe 0 5 26 2 6 5 Square pyramidal 1.055 +TAPZUI Fe 1 5 26 2 6 5 Square pyramidal 1.122 +TEBKIW Fe -1 5 26 2 6 5 Square pyramidal 1.03 +YORSEE Fe 1 5 26 2 6 5 Square pyramidal 1.048 +VEKNAA Fe -1 5 26 2 6 5 Square pyramidal 1.078 +RAVYIX Fe 1 5 26 2 6 5 Square pyramidal 1.104 +SIXRAV Fe 0 5 26 2 6 5 Square pyramidal 1.07 +TICJEX Fe 2 5 26 2 6 5 Square pyramidal 1.105 +EJOJOC Fe 0 5 26 2 6 5 Square pyramidal 1.08 +DESSAW Fe 1 5 26 2 6 5 Square pyramidal 1.069 +ZUJRAZ Fe 0 5 26 2 6 5 Square pyramidal 1.03 +NENNEA Fe 1 3 26 2 6 5 Square pyramidal 1.014 +IXARAB Fe 0 5 26 2 6 5 Square pyramidal 1.067 +TEBRUP Fe 0 5 26 2 6 5 Square pyramidal 1.027 +TEBLAP Fe -1 5 26 2 6 5 Square pyramidal 1.029 +IXAQII Fe 0 5 26 2 6 5 Square pyramidal 1.072 +EDISOA Fe 0 5 26 2 6 5 Square pyramidal 1.095 +PYESAF10 Fe 0 5 26 2 6 5 Square pyramidal 1.03 +UPIFUV Fe 0 5 26 2 6 5 Square pyramidal 1.058 +BAYHUF Fe 0 5 26 2 6 5 Square pyramidal 1.108 +DEXFOB Fe 0 5 26 2 6 5 Square pyramidal 1.07 +DUFLEW Fe 0 5 26 2 6 5 Square pyramidal 1.038 +ZILZUP Fe 0 5 26 2 6 5 Square pyramidal 1.091 +NEJBIN Fe -1 5 26 2 6 5 Square pyramidal 1.106 +PAYHIG Fe 0 5 26 2 6 5 Square pyramidal 1.067 +JASBOV Fe 0 5 26 2 6 5 Square pyramidal 1.049 +PEPPEI Fe 0 3 26 2 6 5 Square pyramidal 0.902 +QOBRIK Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.108 +CUQSEN Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.107 +IMACEG Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.064 +JOGYAH Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.024 +YUMGOF Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.077 +NAZRUC Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.093 +ZUYNEM Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.113 +ROFKOO Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.122 +TEQQAH Fe -1 3 26 2 6 5 Trigonal bipyramidal 0.934 +NEYJUY Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.093 +MONTIU Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.073 +QIXCOR Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.077 +PIYYON Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.07 +WAFWEJ Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.065 +WUMPOL Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.08 +UJUPOF Fe 1 5 26 2 6 5 Trigonal bipyramidal 1.093 +SELSEI Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.061 +NAZROW Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.101 +WAJGUL Fe -1 5 26 2 6 5 Trigonal bipyramidal 1.062 +PEVHAC Fe 1 3 26 2 6 5 Trigonal bipyramidal 0.899 +VAKYOX Fe 2 5 26 2 6 5 Trigonal bipyramidal 1.075 +RITYOK Fe 2 5 26 2 6 5 Trigonal bipyramidal 1.081 +SIXMOC Fe 1 5 26 2 6 5 Trigonal bipyramidal 1.08 +LAYVOX Fe 1 5 26 2 6 5 Trigonal bipyramidal 1.09 +CAJFAV Fe 1 5 26 2 6 5 Trigonal bipyramidal 1.067 +VOVDIT Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.058 +ECEWAL Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.095 +VABFIQ Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.067 +HEYPEG Fe 0 5 26 2 6 5 Trigonal bipyramidal 1.049 +BANLOR Fe 0 1 26 2 6 6 Octahedral 0.803 +MENWUY Fe 0 5 26 2 6 6 Octahedral 1.122 +EGUVOR Fe 0 5 26 2 6 6 Octahedral 1.114 +ZIZHOI Fe 0 1 26 2 6 6 Octahedral 0.91 +IDUBEO Fe -1 1 26 2 6 6 Octahedral 0.889 +GUTYAY Fe 0 1 26 2 6 6 Octahedral 0.924 +UDUMEL Fe 1 5 26 2 6 6 Octahedral 1.119 +FEWRIK Fe 1 5 26 2 6 6 Octahedral 1.117 +GEFZEX Fe 1 1 26 2 6 6 Octahedral 0.917 +CEHHON Fe 2 1 26 2 6 6 Octahedral 0.891 +BAMBAV Fe -4 1 26 2 6 6 Octahedral 0.891 +XESMUG Fe -2 1 26 2 6 6 Octahedral 0.883 +CADYEM Fe -1 1 26 2 6 6 Octahedral 0.865 +XIHVIT Fe -2 1 26 2 6 6 Octahedral 0.883 +DUGPIF Fe -2 1 26 2 6 6 Octahedral 0.885 +ILURIR Fe -3 1 26 2 6 6 Octahedral 0.922 +QOKSOY Fe 0 1 26 2 6 6 Octahedral 0.881 +AQIZEF Fe -2 1 26 2 6 6 Octahedral 0.886 +HAXCOA Fe -1 1 26 2 6 6 Octahedral 0.886 +CUCQIB Fe 0 1 26 2 6 6 Octahedral 0.871 +SAGFUB Fe 0 1 26 2 6 6 Octahedral 0.886 +DEKFAD Fe 0 1 26 2 6 6 Octahedral 0.883 +HIFCAD Fe 1 1 26 2 6 6 Octahedral 0.902 +IDUBOY Fe -1 1 26 2 6 6 Octahedral 0.886 +AQIYAA Fe -2 1 26 2 6 6 Octahedral 0.894 +AQIYII Fe -1 1 26 2 6 6 Octahedral 0.893 +FOQNOP Fe 0 1 26 2 6 6 Octahedral 0.857 +NIVWOF Fe 0 1 26 2 6 6 Octahedral 0.882 +XABHIV Fe 1 1 26 2 6 6 Octahedral 0.852 +NEBKIR Fe -1 1 26 2 6 6 Octahedral 0.885 +CUCQUN Fe 0 1 26 2 6 6 Octahedral 0.88 +COSGEW Fe 0 1 26 2 6 6 Octahedral 0.883 +DEKFEH Fe 0 1 26 2 6 6 Octahedral 0.895 +GOJZIP Fe -1 1 26 2 6 6 Octahedral 0.948 +UCIWOS Fe 0 1 26 2 6 6 Octahedral 0.934 +SADRAU Fe 0 1 26 2 6 6 Octahedral 0.923 +VUJMAP Fe 0 1 26 2 6 6 Octahedral 0.935 +MALGIQ Fe 1 1 26 2 6 6 Octahedral 0.887 +UDUQAL Fe 0 1 26 2 6 6 Octahedral 0.859 +ITEXOU Fe -1 1 26 2 6 6 Octahedral 0.898 +ILASOE Fe 1 1 26 2 6 6 Octahedral 0.898 +QOSZON Fe 0 1 26 2 6 6 Octahedral 0.811 +PUCFID Fe 0 1 26 2 6 6 Octahedral 0.903 +AJIMOV Fe 0 1 26 2 6 6 Octahedral 0.903 +FURPEO Fe -2 1 26 2 6 6 Octahedral 0.96 +XOPSEB Fe 1 1 26 2 6 6 Octahedral 0.955 +UBEVOP Fe 0 1 26 2 6 6 Octahedral 0.922 +QEZYUP Fe 0 1 26 2 6 6 Octahedral 0.919 +ALEQEO Fe 0 1 26 2 6 6 Octahedral 0.916 +IFODIR Fe 0 1 26 2 6 6 Octahedral 0.908 +LALBUV Fe 0 1 26 2 6 6 Octahedral 0.915 +FERBEK Fe 0 1 26 2 6 6 Octahedral 0.923 +KAGXID Fe 0 1 26 2 6 6 Octahedral 0.905 +XILTIV Fe 0 1 26 2 6 6 Octahedral 0.9 +WAZWEC Fe 0 1 26 2 6 6 Octahedral 0.898 +HEYMIH Fe 2 1 26 2 6 6 Octahedral 0.894 +CECBOB Fe 0 1 26 2 6 6 Octahedral 0.897 +CPTCFE Fe 0 1 26 2 6 6 Octahedral 0.907 +TUTPAB Fe 0 1 26 2 6 6 Octahedral 0.913 +EWABUA Fe 0 1 26 2 6 6 Octahedral 0.92 +IJEZIJ Fe 1 1 26 2 6 6 Octahedral 0.925 +VUJLOC Fe 0 1 26 2 6 6 Octahedral 0.948 +TAGLES10 Fe 0 1 26 2 6 6 Octahedral 0.9 +XAXYEC Fe 0 1 26 2 6 6 Octahedral 0.886 +YOZYIW Fe 0 1 26 2 6 6 Octahedral 0.883 +YEQTOE Fe 0 1 26 2 6 6 Octahedral 0.88 +XUPJOI Fe 0 1 26 2 6 6 Octahedral 0.906 +ALILOX Fe 0 1 26 2 6 6 Octahedral 0.945 +YOZZET Fe 0 1 26 2 6 6 Octahedral 0.93 +BAYDEL Fe 0 1 26 2 6 6 Octahedral 0.952 +HUQFAA Fe 2 1 26 2 6 6 Octahedral 0.949 +LINROQ Fe 1 1 26 2 6 6 Octahedral 0.967 +DUDTUS Fe 2 1 26 2 6 6 Octahedral 0.927 +ITARIF Fe 0 1 26 2 6 6 Octahedral 0.945 +HUYDUB Fe 1 1 26 2 6 6 Octahedral 0.94 +GUTXEB Fe 1 1 26 2 6 6 Octahedral 0.935 +HEBMOQ Fe 0 1 26 2 6 6 Octahedral 0.927 +HASJEQ Fe 0 1 26 2 6 6 Octahedral 0.951 +CUXREV Fe 2 1 26 2 6 6 Octahedral 0.938 +NAJKIS Fe 2 1 26 2 6 6 Octahedral 0.911 +WEMVUH Fe 0 1 26 2 6 6 Octahedral 0.931 +WUTDAQ Fe 0 1 26 2 6 6 Octahedral 0.905 +MAFECL Fe -4 5 26 2 6 6 Octahedral 1.037 +XAKHOI Fe -2 5 26 2 6 6 Octahedral 1.118 +METYEQ Fe 0 5 26 2 6 6 Octahedral 1.12 +QIXDEI Fe 0 5 26 2 6 6 Octahedral 1.111 +WITBEJ Fe 0 5 26 2 6 6 Octahedral 1.121 +PIMMOQ Fe 0 5 26 2 6 6 Octahedral 1.109 +KITYOE Fe 0 5 26 2 6 6 Octahedral 1.117 +EYIRUA Fe 0 5 26 2 6 6 Octahedral 1.108 +IVEQEF Fe 0 5 26 2 6 6 Octahedral 1.107 +NISBEW Fe 0 1 26 2 6 6 Octahedral 0.92 +VUDXOH Fe 0 1 26 2 6 6 Octahedral 0.94 +SIXMES Fe 1 5 26 2 6 6 Octahedral 1.135 +DODWUQ Fe 0 5 26 2 6 6 Octahedral 1.098 +TIDCAL Fe 0 5 26 2 6 6 Octahedral 1.134 +WULSEB Fe 1 5 26 2 6 6 Octahedral 1.11 +PUQJAM Fe -1 5 26 2 6 6 Octahedral 1.117 +TUTMUS Fe 1 1 26 2 6 6 Octahedral 0.936 +GAHJEG Fe 1 1 26 2 6 6 Octahedral 0.93 +TAMZAJ Fe 1 1 26 2 6 6 Octahedral 0.885 +JACCUP Fe 0 1 26 2 6 6 Octahedral 0.895 +FEKPUG Fe 1 1 26 2 6 6 Octahedral 0.879 +GOCDEH Fe 0 1 26 2 6 6 Octahedral 0.958 +JAZCAO Fe 0 5 26 2 6 6 Octahedral 1.101 +LINRUW Fe 1 5 26 2 6 6 Octahedral 1.129 +ACEYOW Fe 2 5 26 2 6 6 Octahedral 1.094 +DOQRAC Fe 2 1 26 2 6 6 Octahedral 1.073 +PAZXAP Fe 2 1 26 2 6 6 Octahedral 0.989 +JOWGEH Fe 2 1 26 2 6 6 Octahedral 0.941 +YANKUW Fe 2 5 26 2 6 6 Octahedral 1.135 +ETOHIF Fe 0 5 26 2 6 6 Octahedral 1.116 +DELPOZ01 Fe 2 1 26 2 6 6 Octahedral 0.914 +ITERAB Fe 0 5 26 2 6 6 Octahedral 1.107 +NALPUL Fe 0 1 26 2 6 6 Octahedral 0.916 +DENYAZ Fe 2 1 26 2 6 6 Octahedral 0.945 +HOSRUD Fe 0 5 26 2 6 6 Octahedral 1.115 +XEVKIU Fe 2 5 26 2 6 6 Octahedral 1.128 +SUJVAW Fe 1 5 26 2 6 6 Octahedral 1.117 +OBOFOC Fe 2 1 26 2 6 6 Octahedral 0.914 +WOGMEL Fe 2 1 26 2 6 6 Octahedral 0.917 +YASPUE Fe 0 5 26 2 6 6 Octahedral 1.112 +IFEYOK Fe 2 1 26 2 6 6 Octahedral 0.922 +LOJVEN Fe 0 5 26 2 6 6 Octahedral 1.095 +OSELOO Fe 0 5 26 2 6 6 Octahedral 1.107 +GADMOR Fe -1 5 26 2 6 6 Octahedral 1.116 +JITWUF Fe 2 1 26 2 6 6 Octahedral 0.973 +DORPIJ Fe -1 5 26 2 6 6 Octahedral 1.11 +OFANER Fe 0 5 26 2 6 6 Octahedral 1.119 +CETFAI Fe 2 5 26 2 6 6 Octahedral 1.111 +ZEBSAA Fe 0 1 26 2 6 6 Octahedral 0.922 +GEDFIE Fe 2 1 26 2 6 6 Octahedral 0.907 +QENWUC Fe 2 1 26 2 6 6 Octahedral 0.922 +HEBPUZ Fe 0 1 26 2 6 6 Octahedral 0.953 +YAJLEA Fe 0 5 26 2 6 6 Octahedral 1.108 +ZILYIC Fe 0 5 26 2 6 6 Octahedral 1.113 +YAJLAW Fe 0 5 26 2 6 6 Octahedral 1.095 +HEYNOO Fe 0 1 26 2 6 6 Octahedral 0.932 +HEYNII Fe 0 1 26 2 6 6 Octahedral 0.931 +QEDCOR Fe 2 5 26 2 6 6 Octahedral 1.094 +GAYZEL Fe 0 5 26 2 6 6 Octahedral 1.105 +EGUZUB Fe 2 1 26 2 6 6 Octahedral 0.911 +LAXNON Fe 2 1 26 2 6 6 Octahedral 0.914 +LAXNUT Fe 2 1 26 2 6 6 Octahedral 0.914 +LILYOW Fe 1 5 26 2 6 6 Trigonal prismatic 1.108 +QUKTAS Fe 0 5 26 2 6 6 Trigonal prismatic 1.145 +HUMBEX Fe 4 5 26 2 6 6 Trigonal prismatic 1.127 +VAHGES Fe 1 5 26 2 6 6 Trigonal prismatic 1.152 +MATFUL Fe 0 5 26 2 6 6 Trigonal prismatic 1.121 +REGBUA Fe 0 5 26 2 6 6 Trigonal prismatic 1.148 +WOJLUC Fe 2 5 26 2 6 7 Capped trigonal prismatic 1.211 +HOGFIV Fe 0 5 26 2 6 7 Capped trigonal prismatic 1.187 +XEZMEU Fe 0 5 26 2 6 7 Pentagonal bipyramidal 1.15 +NUKPAM01 Fe 0 5 26 2 6 7 Pentagonal bipyramidal 1.172 +UBEXOQ Fe 2 5 26 2 6 7 Pentagonal bipyramidal 1.191 +KEHREV Fe 2 5 26 2 6 7 Pentagonal bipyramidal 1.172 +QOMQOZ Fe 1 5 26 2 6 7 Pentagonal bipyramidal 1.166 +SOTLET Fe 0 5 26 2 6 7 Pentagonal bipyramidal 1.189 +NELGOA Fe 2 5 26 2 6 8 Cube 1.325 +NAPYFE10 Fe 2 5 26 2 6 8 Dodecahedral 1.243 +HIDQUJ Fe 2 5 26 2 6 8 Dodecahedral 1.208 +HMSIAF13 Fe 0 6 26 3 5 3 Trigonal planar 0.907 +RUMNUK Fe 0 6 26 3 5 3 Trigonal planar 0.875 +MAKBUW Fe -1 4 26 3 5 4 Square planar 0.901 +BOWYUJ Fe -1 6 26 3 5 4 Tetrahedral 0.861 +OTOTIB Fe 0 6 26 3 5 4 Tetrahedral 0.902 +TOCSOV Fe -1 6 26 3 5 4 Tetrahedral 1.037 +MIVGUV Fe 0 6 26 3 5 4 Tetrahedral 0.926 +ISIKEA Fe -1 6 26 3 5 4 Tetrahedral 0.905 +ADIGEB Fe 0 6 26 3 5 4 Tetrahedral 0.963 +VEMYOB Fe 0 6 26 3 5 4 Tetrahedral 0.887 +MOBKET Fe 0 6 26 3 5 4 Tetrahedral 0.893 +MADLOV Fe 0 6 26 3 5 4 Tetrahedral 0.923 +LIBYOM Fe -1 6 26 3 5 4 Tetrahedral 0.94 +DABQED Fe 0 6 26 3 5 4 Tetrahedral 0.92 +CEXLUN Fe -1 6 26 3 5 4 Tetrahedral 0.905 +JUWHAK Fe 0 6 26 3 5 4 Tetrahedral 0.883 +SAYMIO Fe 0 6 26 3 5 4 Tetrahedral 0.892 +BOXSAK Fe -1 6 26 3 5 4 Tetrahedral 0.935 +ONAPOL Fe -1 6 26 3 5 4 Tetrahedral 0.952 +DABPOM Fe 0 6 26 3 5 4 Tetrahedral 0.951 +FIMPOH Fe 0 2 26 3 5 4 Tetrahedral 0.849 +MESROU Fe -1 6 26 3 5 4 Tetrahedral 0.898 +JURHIN Fe -1 6 26 3 5 4 Tetrahedral 0.92 +EWOBEX Fe 0 4 26 3 5 5 Square pyramidal 0.972 +QOCDUI01 Fe 0 4 26 3 5 5 Square pyramidal 0.96 +VIFKED Fe 0 4 26 3 5 5 Square pyramidal 0.952 +MANHEQ Fe -2 4 26 3 5 5 Square pyramidal 0.92 +DADJEX Fe 0 4 26 3 5 5 Square pyramidal 0.987 +ALALAA Fe 0 2 26 3 5 5 Square pyramidal 0.962 +HOGHEQ Fe 0 2 26 3 5 5 Square pyramidal 0.924 +EQACEF Fe -2 6 26 3 5 5 Square pyramidal 0.983 +RAKTAA Fe 0 6 26 3 5 5 Square pyramidal 0.991 +ECOPAO Fe 0 6 26 3 5 5 Square pyramidal 0.986 +PADJAH Fe 0 6 26 3 5 5 Square pyramidal 0.983 +EVILOM Fe 0 6 26 3 5 5 Square pyramidal 0.977 +QOLKIM Fe 0 4 26 3 5 5 Square pyramidal 0.948 +WIYSII Fe 0 6 26 3 5 5 Square pyramidal 0.975 +NAVVIQ Fe -2 4 26 3 5 5 Square pyramidal 0.939 +VEKNOO Fe -2 4 26 3 5 5 Square pyramidal 0.947 +GITHEY Fe 0 4 26 3 5 5 Square pyramidal 0.939 +MIJSOP Fe 0 4 26 3 5 5 Square pyramidal 0.929 +MOCMAT Fe -1 4 26 3 5 5 Square pyramidal 0.921 +TIQZIE Fe 0 4 26 3 5 5 Square pyramidal 0.982 +QITWUO Fe 1 4 26 3 5 5 Square pyramidal 0.99 +RISNOZ Fe 0 6 26 3 5 5 Square pyramidal 1.001 +ZOFDAC Fe 0 6 26 3 5 5 Square pyramidal 0.977 +BESBEI Fe 0 6 26 3 5 5 Square pyramidal 1.023 +QORDUY Fe -1 4 26 3 5 5 Square pyramidal 0.936 +BEKZIA Fe 0 6 26 3 5 5 Square pyramidal 0.974 +ILONUV Fe -2 6 26 3 5 5 Square pyramidal 0.985 +QORFAG Fe -2 4 26 3 5 5 Square pyramidal 0.938 +UCECEL Fe -1 4 26 3 5 5 Square pyramidal 0.935 +TALMEZ Fe -1 4 26 3 5 5 Square pyramidal 0.939 +UCIVOT Fe -2 6 26 3 5 5 Square pyramidal 0.97 +ULEVIQ Fe -1 4 26 3 5 5 Square pyramidal 0.945 +YITRUO Fe 1 2 26 3 5 5 Square pyramidal 0.885 +MANHAM Fe -2 4 26 3 5 5 Square pyramidal 0.936 +YEHDUM Fe 0 6 26 3 5 5 Trigonal bipyramidal 1.063 +MOMXUJ Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.982 +LOQLOS Fe 0 4 26 3 5 5 Trigonal bipyramidal 0.936 +ZAVTUN Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.997 +YOZRAG Fe -2 6 26 3 5 5 Trigonal bipyramidal 0.978 +VILRIT Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.994 +KAJTOE Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.976 +GEPVEF Fe 0 4 26 3 5 5 Trigonal bipyramidal 0.955 +SAVHOM Fe 0 4 26 3 5 5 Trigonal bipyramidal 0.934 +SAVHIG Fe 0 6 26 3 5 5 Trigonal bipyramidal 1.014 +DAQXEY Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.992 +IBEGIH Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.999 +KAFLUA Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.994 +MAHNOZ Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.971 +EDECEX Fe 0 4 26 3 5 5 Trigonal bipyramidal 0.955 +QAYCEY Fe 0 6 26 3 5 5 Trigonal bipyramidal 1.001 +FIHFIO Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.983 +HITHOI Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.995 +GADTIS Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.997 +KAGCIH Fe -1 4 26 3 5 5 Trigonal bipyramidal 0.93 +TAVHOO Fe -1 6 26 3 5 5 Trigonal bipyramidal 1.017 +NOFJOI Fe -1 6 26 3 5 5 Trigonal bipyramidal 1.005 +DOGHOY Fe 1 6 26 3 5 5 Trigonal bipyramidal 1.007 +JIWFUQ Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.986 +GUQYOH Fe 0 6 26 3 5 5 Trigonal bipyramidal 1.002 +ZAZNUJ Fe 0 6 26 3 5 5 Trigonal bipyramidal 1.015 +JIWMIL Fe 0 6 26 3 5 5 Trigonal bipyramidal 0.98 +UCIVUZ Fe -2 6 26 3 5 5 Trigonal bipyramidal 0.972 +KAGRES Fe -1 4 26 3 5 5 Trigonal bipyramidal 0.929 +QEFDOW Fe 0 6 26 3 5 6 Octahedral 1.039 +UHEHAQ Fe 0 6 26 3 5 6 Octahedral 1.033 +GUTXOL Fe 1 2 26 3 5 6 Octahedral 0.937 +HAXXOU Fe 0 6 26 3 5 6 Octahedral 1.062 +SUTQAB Fe 0 6 26 3 5 6 Octahedral 1.043 +QOZZUB Fe 0 6 26 3 5 6 Octahedral 1.039 +VOPPEV Fe 0 6 26 3 5 6 Octahedral 1.013 +JIHPAR Fe -3 2 26 3 5 6 Octahedral 0.911 +HIYRUE Fe -2 2 26 3 5 6 Octahedral 0.929 +SEDREZ Fe -1 2 26 3 5 6 Octahedral 0.944 +YITNAR Fe -1 2 26 3 5 6 Octahedral 0.925 +SAGCAF Fe 0 2 26 3 5 6 Octahedral 0.948 +ERIMEZ02 Fe -1 2 26 3 5 6 Octahedral 0.976 +GICZIB Fe 1 2 26 3 5 6 Octahedral 0.943 +YAQBEA Fe 1 2 26 3 5 6 Octahedral 0.956 +KAGXUP Fe 1 2 26 3 5 6 Octahedral 0.911 +LIJBUB Fe 0 2 26 3 5 6 Octahedral 0.968 +XIBBAL Fe 1 2 26 3 5 6 Octahedral 0.946 +UHIBAP Fe 0 2 26 3 5 6 Octahedral 0.933 +QEHZIN Fe 2 2 26 3 5 6 Octahedral 0.947 +VOCBAQ Fe -2 6 26 3 5 6 Octahedral 1.036 +YILLAH Fe -1 6 26 3 5 6 Octahedral 1.044 +VOBYEQ Fe -1 6 26 3 5 6 Octahedral 1.03 +POJREL Fe 0 6 26 3 5 6 Octahedral 1.05 +ATOFAS Fe -2 6 26 3 5 6 Octahedral 1.042 +REXMIQ Fe 0 6 26 3 5 6 Octahedral 1.062 +ZULGAQ Fe -2 6 26 3 5 6 Octahedral 1.031 +YITVON Fe 0 6 26 3 5 6 Octahedral 1.027 +RUHMAI Fe 1 6 26 3 5 6 Octahedral 1.065 +JIKPAX Fe 1 6 26 3 5 6 Octahedral 1.049 +RIPXIX Fe 0 6 26 3 5 6 Octahedral 1.049 +GAVNEX Fe 0 6 26 3 5 6 Octahedral 1.039 +QARPEF Fe 0 6 26 3 5 6 Octahedral 1.042 +EHEXOE Fe -2 6 26 3 5 6 Octahedral 1.03 +SAHZIK Fe 0 6 26 3 5 6 Octahedral 1.032 +WIHFEB Fe 2 2 26 3 5 6 Octahedral 0.944 +XEZZUX Fe 1 2 26 3 5 6 Octahedral 0.949 +OLUYEB Fe 2 2 26 3 5 6 Octahedral 1.005 +XOFDUR Fe 1 6 26 3 5 6 Octahedral 1.042 +VIJQUB Fe 0 6 26 3 5 6 Octahedral 1.047 +CAPZAW Fe -1 6 26 3 5 6 Octahedral 1.039 +QIJTAE Fe 0 6 26 3 5 6 Octahedral 1.039 +ZIMBEC Fe 0 6 26 3 5 6 Octahedral 1.018 +WISHUE Fe 0 6 26 3 5 6 Octahedral 1.047 +VOPPAR Fe 0 6 26 3 5 6 Octahedral 1.02 +RUMRAU Fe -3 6 26 3 5 6 Octahedral 1.027 +YASHUV Fe -2 6 26 3 5 6 Octahedral 1.026 +HARLER Fe 1 6 26 3 5 6 Octahedral 1.042 +VEGCEQ Fe 1 2 26 3 5 6 Octahedral 0.967 +NEPPIJ Fe -3 6 26 3 5 6 Octahedral 1.027 +NEMXIN Fe 0 2 26 3 5 6 Octahedral 0.927 +HULQAI Fe -2 6 26 3 5 6 Octahedral 1.025 +ELUJUQ Fe 0 6 26 3 5 6 Octahedral 1.061 +QETKOS Fe 3 2 26 3 5 6 Octahedral 0.975 +SILWOA Fe -2 6 26 3 5 6 Octahedral 1.014 +UGOLOT Fe 2 2 26 3 5 6 Octahedral 0.964 +CESGOW Fe 1 2 26 3 5 6 Octahedral 0.92 +CAJFEZ Fe 2 2 26 3 5 6 Octahedral 0.941 +KETVEL Fe 1 6 26 3 5 6 Octahedral 1.036 +WOBXER Fe 1 6 26 3 5 6 Octahedral 1.061 +VENGUS Fe 0 6 26 3 5 6 Octahedral 1.042 +GUGYIS Fe -1 6 26 3 5 6 Octahedral 1.032 +AETSFE Fe 1 2 26 3 5 6 Octahedral 0.951 +LUJPAI Fe 1 2 26 3 5 6 Octahedral 0.981 +EGEMOS Fe 0 2 26 3 5 6 Octahedral 0.949 +XENPAI Fe 1 2 26 3 5 6 Octahedral 0.934 +MIDJOY Fe 1 2 26 3 5 6 Octahedral 0.948 +JUDRAD Fe 0 6 26 3 5 6 Octahedral 1.018 +UBUBAU Fe 0 6 26 3 5 6 Octahedral 1.055 +DOXXOE Fe 0 6 26 3 5 6 Octahedral 1.08 +HAVRII Fe -1 6 26 3 5 6 Octahedral 1.022 +OMANIB Fe 0 2 26 3 5 6 Octahedral 0.939 +CUHGUH Fe -1 2 26 3 5 6 Octahedral 0.933 +DIHZEC Fe 0 6 26 3 5 6 Octahedral 1.02 +KAPJAO Fe 3 6 26 3 5 6 Octahedral 1.008 +KEFLUD Fe -3 6 26 3 5 6 Octahedral 1.041 +BOFFOS Fe -3 6 26 3 5 6 Octahedral 1.021 +NANJUJ Fe -1 6 26 3 5 6 Octahedral 1.033 +RATCAR Fe 0 6 26 3 5 6 Octahedral 1.048 +MTCBFE Fe 0 6 26 3 5 6 Octahedral 1.058 +DEXZAK Fe 0 6 26 3 5 6 Octahedral 1.039 +NUSMIY Fe -2 2 26 3 5 6 Octahedral 0.946 +VEKNUU Fe 0 6 26 3 5 6 Octahedral 1.078 +LOXSIA Fe 0 2 26 3 5 6 Octahedral 0.952 +LOXWUQ Fe -1 6 26 3 5 6 Trigonal prismatic 1.044 +NOYJUG Fe -3 6 26 3 5 6 Trigonal prismatic 1.027 +IVOSAO Fe 2 6 26 3 5 7 Capped trigonal prismatic 1.13 +IVOSES Fe 2 6 26 3 5 7 Pentagonal bipyramidal 1.129 +MUJZUM Fe 0 6 26 3 5 7 Pentagonal bipyramidal 1.106 +NURPUN Co 1 3 27 1 8 2 Linear 0.963 +KAGHOS Co -1 3 27 1 8 2 Linear 0.943 +VEYXOP Co 0 3 27 1 8 3 T-shaped 0.998 +AQUGIF Co 0 3 27 1 8 3 T-shaped 0.948 +FEWYAK Co 1 3 27 1 8 3 Trigonal planar 0.99 +QIDNAU Co 0 3 27 1 8 3 Trigonal planar 0.971 +MAXZOC Co 0 3 27 1 8 3 Trigonal planar 0.965 +UZEXON Co 0 3 27 1 8 3 Trigonal planar 0.98 +HESNAX Co 0 1 27 1 8 4 Seesaw 0.9 +NIHXEK Co 0 3 27 1 8 4 Seesaw 0.994 +YALHUP Co 0 3 27 1 8 4 Seesaw 1.099 +YIKVUM Co 0 3 27 1 8 4 Seesaw 1.001 +UZEYEE Co 0 1 27 1 8 4 Square planar 0.889 +BAFSIO Co 0 1 27 1 8 4 Square planar 0.887 +SIPHAA Co 0 3 27 1 8 4 Tetrahedral 0.943 +CUWSIW Co 0 3 27 1 8 4 Tetrahedral 0.956 +NIHYIP Co 0 3 27 1 8 4 Tetrahedral 0.993 +DAJVIT Co 0 3 27 1 8 4 Tetrahedral 0.924 +CAFYAK Co 0 3 27 1 8 4 Tetrahedral 0.963 +TUMYUV Co 0 3 27 1 8 4 Tetrahedral 0.954 +CIXXEN Co 0 3 27 1 8 4 Tetrahedral 0.927 +CIXXAJ Co 0 3 27 1 8 4 Tetrahedral 0.907 +XONCEJ Co 0 3 27 1 8 4 Tetrahedral 0.971 +FIYMOP Co 1 1 27 1 8 5 Square pyramidal 0.873 +FEWVEL Co 0 1 27 1 8 5 Square pyramidal 0.935 +VUJPIZ Co 0 1 27 1 8 5 Square pyramidal 0.878 +VAFHAM Co 0 1 27 1 8 5 Trigonal bipyramidal 0.893 +QAQBIV Co 0 1 27 1 8 5 Trigonal bipyramidal 0.883 +RABVOG Co 0 1 27 1 8 5 Trigonal bipyramidal 0.894 +CAHCOP Co 0 1 27 1 8 5 Trigonal bipyramidal 0.862 +WOKYOL Co 0 1 27 1 8 5 Trigonal bipyramidal 0.928 +CURVOB Co 0 4 27 2 7 2 Linear 0.956 +PIVHUZ Co 0 4 27 2 7 2 Linear 0.879 +MUGYIY Co 0 4 27 2 7 3 Trigonal planar 0.994 +MUGYEU Co 0 4 27 2 7 3 Trigonal planar 0.98 +VUCPIU Co 0 4 27 2 7 3 Trigonal planar 1.018 +XUNTAB Co 0 4 27 2 7 3 Trigonal planar 0.927 +MONZEU Co 0 4 27 2 7 3 Trigonal planar 0.979 +RITTAR Co 0 4 27 2 7 3 Trigonal planar 0.99 +DOZZEX Co 0 4 27 2 7 3 Trigonal planar 0.989 +DAQRAR Co -1 4 27 2 7 3 Trigonal planar 0.958 +VENTAL Co 0 4 27 2 7 4 Seesaw 1.044 +GIGGUZ Co 0 4 27 2 7 4 Seesaw 1.036 +TEXLIS Co 0 4 27 2 7 4 Seesaw 1.021 +MCPTCO Co 0 4 27 2 7 4 Seesaw 1.042 +MERECO Co 0 4 27 2 7 4 Seesaw 1.019 +AGIDEC Co -2 4 27 2 7 4 Seesaw 1.027 +SEWMAK Co -2 4 27 2 7 4 Seesaw 1.025 +TANLEA Co 0 2 27 2 7 4 Seesaw 0.906 +BITTAC Co 0 2 27 2 7 4 Square planar 0.907 +BIXWOX Co 0 2 27 2 7 4 Square planar 0.969 +FEWYIS Co 0 2 27 2 7 4 Square planar 0.94 +EQEQAV Co 0 2 27 2 7 4 Square planar 0.96 +QANMOK Co 0 2 27 2 7 4 Square planar 1.006 +IPOFUR Co 0 2 27 2 7 4 Square planar 0.941 +AGAVAI Co 0 2 27 2 7 4 Square planar 0.898 +HEQZEI Co 0 2 27 2 7 4 Square planar 1.013 +FEYMIG Co 0 2 27 2 7 4 Square planar 0.903 +QAZCIF Co 0 2 27 2 7 4 Square planar 0.951 +LAPYAC Co 0 2 27 2 7 4 Square planar 0.917 +ZZZAOG01 Co 0 2 27 2 7 4 Square planar 0.922 +JUHTIP Co 0 2 27 2 7 4 Square planar 0.931 +AGXICO Co 0 2 27 2 7 4 Square planar 0.935 +ZIMPUG Co 0 2 27 2 7 4 Square planar 0.92 +ZIMQAN Co 0 2 27 2 7 4 Square planar 0.933 +AGUDUE Co 1 2 27 2 7 4 Square planar 0.924 +VEXLIU Co 0 2 27 2 7 4 Square planar 0.92 +EAIMCO Co 0 2 27 2 7 4 Square planar 0.935 +RUMGUB Co 0 2 27 2 7 4 Square planar 0.981 +AJALAZ Co 0 2 27 2 7 4 Square planar 0.925 +FEHNOV Co 0 2 27 2 7 4 Square planar 0.882 +TILSUD Co 2 2 27 2 7 4 Square planar 0.998 +EWANAR Co -2 2 27 2 7 4 Square planar 0.896 +BAMCOM Co -2 2 27 2 7 4 Square planar 0.883 +LAYMEF Co -2 2 27 2 7 4 Square planar 0.905 +PELZAH Co -1 4 27 2 7 4 Tetrahedral 0.97 +HEKXIG Co -2 4 27 2 7 4 Tetrahedral 0.967 +UFOYOF Co -1 4 27 2 7 4 Tetrahedral 0.983 +PAMSUT Co -1 4 27 2 7 4 Tetrahedral 0.982 +VEBKAQ Co 0 4 27 2 7 4 Tetrahedral 1.003 +METGUN Co 0 4 27 2 7 4 Tetrahedral 1.002 +TEHYOV Co 0 4 27 2 7 4 Tetrahedral 0.981 +BABCAK Co 0 4 27 2 7 4 Tetrahedral 0.978 +FOMQAB Co 0 4 27 2 7 4 Tetrahedral 0.983 +QOGLAZ Co 0 4 27 2 7 4 Tetrahedral 0.992 +NUPTAT Co 0 4 27 2 7 4 Tetrahedral 0.967 +FAYHIZ Co 0 4 27 2 7 4 Tetrahedral 0.975 +ZUMCUI Co 0 4 27 2 7 4 Tetrahedral 1.012 +CADYUC Co 0 4 27 2 7 4 Tetrahedral 1.006 +OBIMOC Co 0 4 27 2 7 4 Tetrahedral 0.996 +HIDXUP Co 0 4 27 2 7 4 Tetrahedral 1.033 +KOZYED01 Co 0 4 27 2 7 4 Tetrahedral 1.102 +DIMDAH Co 0 4 27 2 7 4 Tetrahedral 1.056 +HURSAR Co 0 4 27 2 7 4 Tetrahedral 1.013 +HIPLOI Co 0 4 27 2 7 4 Tetrahedral 1.09 +YEQZID Co 0 4 27 2 7 4 Tetrahedral 1.033 +BINJOZ Co -2 4 27 2 7 4 Tetrahedral 0.994 +SOXJUK Co -1 4 27 2 7 4 Tetrahedral 0.993 +GISVAF Co 0 4 27 2 7 4 Tetrahedral 1.003 +YINCOO Co 0 4 27 2 7 4 Tetrahedral 0.994 +ILIJUK Co 0 4 27 2 7 4 Tetrahedral 0.993 +METGOH Co 0 4 27 2 7 4 Tetrahedral 1.021 +PUMQAQ Co -2 4 27 2 7 4 Tetrahedral 1.006 +RIZGUF Co 0 4 27 2 7 4 Tetrahedral 0.993 +TOTGOY Co 0 4 27 2 7 4 Tetrahedral 1.017 +LAJYUR Co 0 4 27 2 7 4 Tetrahedral 1.06 +JAWSUY Co 0 4 27 2 7 4 Tetrahedral 1.011 +NANJEU Co 0 4 27 2 7 4 Tetrahedral 1.0 +NEZPEQ Co 0 4 27 2 7 4 Tetrahedral 1.005 +VECTUU Co 0 4 27 2 7 4 Tetrahedral 1.013 +FOMPUU Co 0 4 27 2 7 4 Tetrahedral 0.99 +FARZIH Co 0 4 27 2 7 4 Tetrahedral 1.006 +FAJMAF Co -2 4 27 2 7 4 Tetrahedral 1.018 +SIYHOA Co 0 4 27 2 7 4 Tetrahedral 1.008 +RUTRUT Co 0 4 27 2 7 4 Tetrahedral 0.983 +LOXSAS Co 0 4 27 2 7 4 Tetrahedral 0.995 +REMMEB Co 0 4 27 2 7 4 Tetrahedral 0.997 +HIPLEY Co 0 4 27 2 7 4 Tetrahedral 1.052 +IJOPED Co 0 4 27 2 7 4 Tetrahedral 1.055 +VEDXOS Co 0 4 27 2 7 4 Tetrahedral 1.015 +XEZWOQ Co 0 4 27 2 7 4 Tetrahedral 0.998 +BIWPED Co 0 4 27 2 7 4 Tetrahedral 1.032 +JAPRUN Co 0 4 27 2 7 4 Tetrahedral 0.989 +LEWNIN Co 0 4 27 2 7 4 Tetrahedral 1.077 +SIBZAE Co 0 4 27 2 7 4 Tetrahedral 1.092 +CAHQAD Co 0 4 27 2 7 4 Tetrahedral 1.062 +ROBXEM Co -2 4 27 2 7 4 Tetrahedral 0.958 +DAPQOD Co 0 4 27 2 7 4 Tetrahedral 0.987 +KUWWAC Co 0 4 27 2 7 4 Tetrahedral 0.98 +TAPGUM Co 0 4 27 2 7 4 Tetrahedral 1.004 +UMUJUK Co 0 4 27 2 7 4 Tetrahedral 0.986 +FAYHOF Co 0 4 27 2 7 4 Tetrahedral 0.984 +HOMKUP Co 0 4 27 2 7 4 Tetrahedral 0.99 +XUPRAB Co 0 4 27 2 7 4 Tetrahedral 0.991 +CODLEO Co 0 4 27 2 7 4 Tetrahedral 0.983 +CASXAY Co -2 4 27 2 7 4 Tetrahedral 0.988 +QITSUJ Co -2 4 27 2 7 4 Tetrahedral 0.987 +ADERAF Co 0 4 27 2 7 4 Tetrahedral 0.998 +IZOJAK Co 0 4 27 2 7 4 Tetrahedral 1.032 +NICFAH Co -1 4 27 2 7 4 Tetrahedral 1.025 +UHOXOE Co 1 4 27 2 7 4 Tetrahedral 1.037 +WIGMAA Co 0 4 27 2 7 4 Tetrahedral 1.073 +EMEDEH Co 0 4 27 2 7 4 Tetrahedral 1.024 +CADZAJ Co 0 4 27 2 7 4 Tetrahedral 1.009 +ECBIMA10 Co 0 4 27 2 7 4 Tetrahedral 1.056 +COIMAC10 Co 0 4 27 2 7 4 Tetrahedral 1.039 +ADEQUY Co 0 4 27 2 7 4 Tetrahedral 0.996 +WAHQEE Co 0 4 27 2 7 4 Tetrahedral 1.012 +UYIFUF02 Co 0 4 27 2 7 4 Tetrahedral 1.029 +UJUSOI Co 0 4 27 2 7 4 Tetrahedral 1.013 +WOFREP Co 0 4 27 2 7 4 Tetrahedral 1.022 +OQEDOE Co 0 4 27 2 7 4 Tetrahedral 1.038 +SAZFOR Co 0 2 27 2 7 4 Tetrahedral 0.867 +JOYXAW Co 2 4 27 2 7 4 Tetrahedral 1.022 +RATBIY Co 0 4 27 2 7 4 Tetrahedral 1.014 +XUPREF Co 0 4 27 2 7 4 Tetrahedral 0.997 +TANLOK Co 0 4 27 2 7 4 Tetrahedral 1.0 +TANLUQ Co 0 2 27 2 7 4 Tetrahedral 0.902 +EBECAP Co -2 4 27 2 7 4 Tetrahedral 1.002 +APOHUK Co -2 4 27 2 7 4 Tetrahedral 0.998 +VILVIX Co -2 4 27 2 7 4 Tetrahedral 0.978 +RUJSOE Co 0 4 27 2 7 5 Square pyramidal 1.129 +KEHJAK Co 0 2 27 2 7 5 Square pyramidal 1.003 +SEMROU Co 0 4 27 2 7 5 Square pyramidal 1.07 +VAPCAR Co 0 4 27 2 7 5 Square pyramidal 1.093 +ONAXIM Co 0 2 27 2 7 5 Square pyramidal 0.984 +VEKNEE Co -1 4 27 2 7 5 Square pyramidal 1.114 +ELUXIU Co 1 2 27 2 7 5 Square pyramidal 1.021 +ZIVLIC Co 1 2 27 2 7 5 Square pyramidal 1.002 +ABAJIX Co 2 2 27 2 7 5 Square pyramidal 1.038 +POBWUA Co 1 2 27 2 7 5 Square pyramidal 1.0 +RAWRUF Co 0 4 27 2 7 5 Square pyramidal 1.075 +YUBZUR Co 2 2 27 2 7 5 Square pyramidal 1.072 +JASLEU Co 1 2 27 2 7 5 Square pyramidal 1.046 +GUZTIH Co 0 4 27 2 7 5 Square pyramidal 1.098 +WIVQIC Co 0 4 27 2 7 5 Square pyramidal 1.106 +SUFBUS Co 0 4 27 2 7 5 Square pyramidal 1.11 +PORNES Co 0 4 27 2 7 5 Square pyramidal 1.11 +IFIXON Co 0 4 27 2 7 5 Square pyramidal 1.102 +JEPNUO Co 0 4 27 2 7 5 Square pyramidal 1.086 +IMUDOK Co 0 4 27 2 7 5 Square pyramidal 1.101 +XOGXAS Co 0 4 27 2 7 5 Square pyramidal 1.091 +LELLAQ Co 0 4 27 2 7 5 Square pyramidal 1.118 +ZOBQIQ Co 1 2 27 2 7 5 Square pyramidal 0.967 +NABDID Co 1 2 27 2 7 5 Square pyramidal 0.972 +WIGXUI Co 0 4 27 2 7 5 Trigonal bipyramidal 1.075 +UJUPAR Co 1 4 27 2 7 5 Trigonal bipyramidal 1.11 +XIVKOD Co 1 4 27 2 7 5 Trigonal bipyramidal 1.093 +UMIZUL Co 0 4 27 2 7 5 Trigonal bipyramidal 1.098 +VAPFEY Co 0 4 27 2 7 5 Trigonal bipyramidal 1.086 +DITLAW Co 0 4 27 2 7 5 Trigonal bipyramidal 1.087 +LELDUE Co 1 4 27 2 7 5 Trigonal bipyramidal 1.084 +EHIJEM Co 1 4 27 2 7 5 Trigonal bipyramidal 1.108 +WIWJOD Co 0 4 27 2 7 5 Trigonal bipyramidal 1.09 +AWESAY Co 0 4 27 2 7 5 Trigonal bipyramidal 1.083 +GUWWAW Co 0 4 27 2 7 5 Trigonal bipyramidal 1.144 +DAMYUL Co 1 4 27 2 7 5 Trigonal bipyramidal 1.116 +SINMIO Co 1 4 27 2 7 5 Trigonal bipyramidal 1.087 +LAVKEA Co 1 4 27 2 7 5 Trigonal bipyramidal 1.088 +DUWWEY Co 1 4 27 2 7 5 Trigonal bipyramidal 1.12 +YECSUW Co 1 4 27 2 7 5 Trigonal bipyramidal 1.087 +QADJEK Co 0 4 27 2 7 5 Trigonal bipyramidal 1.117 +ZEDSOT Co 0 4 27 2 7 5 Trigonal bipyramidal 1.102 +IKERUO Co 0 4 27 2 7 5 Trigonal bipyramidal 1.123 +CUZBUU Co 0 4 27 2 7 5 Trigonal bipyramidal 1.075 +SIVQEU Co 0 4 27 2 7 5 Trigonal bipyramidal 1.058 +NAFDAB Co 0 4 27 2 7 5 Trigonal bipyramidal 1.147 +NABDEZ Co 1 2 27 2 7 5 Trigonal bipyramidal 0.959 +NABFOL Co 1 2 27 2 7 5 Trigonal bipyramidal 0.949 +HUKJAA Co 0 4 27 2 7 5 Trigonal bipyramidal 1.109 +QEDKOZ Co 0 4 27 2 7 6 Octahedral 1.152 +BEMJIN Co 0 4 27 2 7 6 Octahedral 1.144 +TAGZUA Co 0 4 27 2 7 6 Octahedral 1.133 +EBUSEB Co 0 4 27 2 7 6 Octahedral 1.119 +YEZLEU Co 0 2 27 2 7 6 Octahedral 0.991 +COBDEC Co 0 2 27 2 7 6 Octahedral 0.975 +LUWCIP Co 0 4 27 2 7 6 Octahedral 1.175 +KAGLUA Co -2 4 27 2 7 6 Octahedral 1.148 +PARRUW Co 0 4 27 2 7 6 Octahedral 1.184 +BUKFAR Co 0 4 27 2 7 6 Octahedral 1.137 +OLIWUB Co 0 4 27 2 7 6 Octahedral 1.142 +DIFKUY Co 0 4 27 2 7 6 Octahedral 1.15 +IXEQAF Co 0 4 27 2 7 6 Octahedral 1.14 +POWRID Co 0 4 27 2 7 6 Octahedral 1.14 +JODGIT Co 0 4 27 2 7 6 Octahedral 1.128 +THETCO Co 0 4 27 2 7 6 Octahedral 1.129 +CTHUCO10 Co 0 4 27 2 7 6 Octahedral 1.165 +MGXANC Co 0 2 27 2 7 6 Octahedral 0.96 +IGUREJ Co 1 4 27 2 7 6 Octahedral 1.165 +FERWEH Co 0 4 27 2 7 6 Octahedral 1.132 +YALZET Co 1 4 27 2 7 6 Octahedral 1.138 +DAMTES Co 1 4 27 2 7 6 Octahedral 1.151 +VAHGOC Co 1 4 27 2 7 6 Octahedral 1.141 +MOHFUM Co 1 4 27 2 7 6 Octahedral 1.127 +NUTHIU Co 0 4 27 2 7 6 Octahedral 1.148 +KIFMUK Co 0 4 27 2 7 6 Octahedral 1.137 +IVUQOH Co 0 4 27 2 7 6 Octahedral 1.16 +CAWQIB Co 0 4 27 2 7 6 Octahedral 1.152 +RAXMOT Co 0 4 27 2 7 6 Octahedral 1.137 +OFINAT Co 2 4 27 2 7 6 Octahedral 1.113 +JUNGEH Co 2 4 27 2 7 6 Octahedral 1.167 +KILBAJ Co 2 4 27 2 7 6 Octahedral 1.129 +RUJSUK Co 2 4 27 2 7 6 Octahedral 1.179 +FOXCOM Co 0 4 27 2 7 6 Octahedral 1.137 +HZHCXC Co 0 4 27 2 7 6 Octahedral 1.153 +PITHAD Co 2 4 27 2 7 6 Octahedral 1.129 +IXEPIM Co 0 4 27 2 7 6 Octahedral 1.117 +GADMEH Co -1 4 27 2 7 6 Octahedral 1.132 +DEGJEF Co 0 4 27 2 7 6 Octahedral 1.147 +JITWOZ Co 2 4 27 2 7 6 Octahedral 1.114 +ZOZPAF Co -1 4 27 2 7 6 Octahedral 1.157 +BAWZIL Co 0 4 27 2 7 6 Octahedral 1.127 +RAXXUM Co 0 4 27 2 7 6 Octahedral 1.118 +ECADOB01 Co 2 4 27 2 7 6 Octahedral 1.113 +BOQPIH Co 2 4 27 2 7 6 Octahedral 1.147 +EDIDAX Co 2 4 27 2 7 6 Octahedral 1.123 +RETFOM Co 0 4 27 2 7 6 Octahedral 1.14 +WAMYAL Co 0 4 27 2 7 6 Octahedral 1.123 +XITQIB Co 0 2 27 2 7 6 Octahedral 1.071 +XITQEX Co 0 2 27 2 7 6 Octahedral 1.09 +CETJIU Co 2 4 27 2 7 6 Octahedral 1.144 +ODOWUC Co 0 4 27 2 7 6 Octahedral 1.104 +RUMHAI Co 0 2 27 2 7 6 Octahedral 1.092 +NOYCIN Co 2 4 27 2 7 6 Octahedral 1.121 +TIGBIV Co 2 4 27 2 7 6 Octahedral 1.146 +GIBGON Co 0 4 27 2 7 6 Octahedral 1.127 +XIYMEY Co 2 4 27 2 7 6 Octahedral 1.12 +SESGUT Co 2 4 27 2 7 6 Octahedral 1.122 +AYIZOY Co -4 4 27 2 7 6 Octahedral 1.134 +COETDS10 Co 2 4 27 2 7 6 Octahedral 1.133 +TAKZAH Co 0 4 27 2 7 6 Octahedral 1.132 +FIDZEY Co 0 4 27 2 7 6 Octahedral 1.173 +ZIBNIH Co 0 4 27 2 7 6 Octahedral 1.15 +BAJJEB Co 0 4 27 2 7 6 Octahedral 1.131 +NTMTUC Co 0 4 27 2 7 6 Octahedral 1.175 +BOXMIK Co 2 2 27 2 7 6 Octahedral 1.008 +ZOTRAB Co 0 2 27 2 7 6 Octahedral 1.058 +XUBMUF Co 2 4 27 2 7 6 Pentagonal pyramidal 1.214 +PODCIX Co 0 4 27 2 7 6 Trigonal prismatic 1.167 +ERUXIZ Co 2 4 27 2 7 6 Trigonal prismatic 1.176 +VUCYAV Co 1 4 27 2 7 6 Trigonal prismatic 1.193 +KIRPAE Co 2 4 27 2 7 6 Trigonal prismatic 1.157 +DEPLES Co 2 4 27 2 7 6 Trigonal prismatic 1.138 +FURBIF Co 0 4 27 2 7 6 Trigonal prismatic 1.154 +EYOZEY Co 0 4 27 2 7 6 Trigonal prismatic 1.138 +QOWJOE Co -1 4 27 2 7 6 Trigonal prismatic 1.159 +SISNAK Co 1 4 27 2 7 7 Capped trigonal prismatic 1.233 +GUGCUI Co 0 4 27 2 7 7 Pentagonal bipyramidal 1.21 +KIRDOH Co 0 4 27 2 7 7 Pentagonal bipyramidal 1.207 +COKLOD Co 2 4 27 2 7 7 Pentagonal bipyramidal 1.216 +VENJOO Co 0 4 27 2 7 7 Pentagonal bipyramidal 1.188 +XUVVAN Co 0 4 27 2 7 7 Pentagonal bipyramidal 1.216 +BAHDAS Co -2 4 27 2 7 7 Pentagonal bipyramidal 1.226 +RUHRIV Co 2 4 27 2 7 8 Dodecahedral 1.3 +KAXMIF Co 0 5 27 3 6 3 Trigonal planar 0.921 +ABATUT Co 0 1 27 3 6 3 Trigonal planar 0.848 +QOXZAG Co 1 1 27 3 6 4 Seesaw 0.902 +QUCBOG Co -1 3 27 3 6 4 Square planar 0.925 +KOCXEG Co 2 3 27 3 6 4 Square planar 0.921 +XEHSOV Co 0 3 27 3 6 4 Square planar 0.9 +PENBUG Co -1 3 27 3 6 4 Square planar 0.913 +VIWQEX Co -1 3 27 3 6 4 Square planar 0.893 +HEHJOW Co -1 3 27 3 6 4 Square planar 0.89 +MAJYUS Co -1 3 27 3 6 4 Square planar 0.877 +QANFOD Co -1 3 27 3 6 4 Square planar 0.865 +QOXZEK Co 1 1 27 3 6 4 Tetrahedral 0.884 +WATSUF Co 0 1 27 3 6 5 Square pyramidal 0.952 +EACMCO Co 0 1 27 3 6 5 Square pyramidal 0.949 +LADCIC Co 0 3 27 3 6 5 Square pyramidal 0.963 +REJDAN Co 1 3 27 3 6 5 Square pyramidal 0.974 +GUZCUZ Co 0 3 27 3 6 5 Trigonal bipyramidal 1.052 +LADCOI Co 0 3 27 3 6 5 Trigonal bipyramidal 0.954 +VOYFIA Co 0 3 27 3 6 5 Trigonal bipyramidal 0.986 +XANMAA Co 1 1 27 3 6 6 Octahedral 0.93 +PIDPUN Co 1 1 27 3 6 6 Octahedral 0.972 +OVOJIU Co 0 1 27 3 6 6 Octahedral 0.907 +UJOLEK Co 0 1 27 3 6 6 Octahedral 0.971 +MAKPOD Co 1 1 27 3 6 6 Octahedral 0.971 +TOLTET Co 1 1 27 3 6 6 Octahedral 0.95 +MICHOV Co 0 1 27 3 6 6 Octahedral 0.966 +SOWKIY Co 0 1 27 3 6 6 Octahedral 0.986 +HANJIP Co 2 1 27 3 6 6 Octahedral 0.979 +CSCNCC01 Co -3 1 27 3 6 6 Octahedral 0.91 +BODQES Co -1 1 27 3 6 6 Octahedral 0.971 +QIGRED Co 0 1 27 3 6 6 Octahedral 0.961 +REXQAN Co 0 1 27 3 6 6 Octahedral 1.044 +QIWKOX Co 0 1 27 3 6 6 Octahedral 0.982 +YEXVAA Co 0 1 27 3 6 6 Octahedral 0.99 +EKOKEV Co 0 1 27 3 6 6 Octahedral 0.988 +SIQNAK Co 0 1 27 3 6 6 Octahedral 0.919 +KUVWOQ Co 0 1 27 3 6 6 Octahedral 0.91 +SIQNEO Co 0 1 27 3 6 6 Octahedral 0.95 +DOFZAA Co 0 1 27 3 6 6 Octahedral 0.989 +CEHYAP01 Co 1 1 27 3 6 6 Octahedral 0.978 +VIDMIH Co 1 1 27 3 6 6 Octahedral 0.987 +NEXYAS Co -1 1 27 3 6 6 Octahedral 0.984 +DABHUK Co -1 1 27 3 6 6 Octahedral 0.956 +LAYNEF Co 0 1 27 3 6 6 Octahedral 0.987 +SUKQUK Co -1 1 27 3 6 6 Octahedral 0.97 +KEQVAD Co 0 1 27 3 6 6 Octahedral 0.99 +YEXVEE Co 0 1 27 3 6 6 Octahedral 1.01 +AGODAC Co 0 1 27 3 6 6 Octahedral 0.973 +RISSIW Co 0 1 27 3 6 6 Octahedral 0.971 +FUQCUR Co 1 1 27 3 6 6 Octahedral 0.994 +XOQVAC Co 0 1 27 3 6 6 Octahedral 0.993 +GIXYIV Co 0 1 27 3 6 6 Octahedral 0.931 +SOZYEL Co 0 1 27 3 6 6 Octahedral 0.974 +RATDIZ Co 2 1 27 3 6 6 Octahedral 1.018 +QIGSEE Co 0 1 27 3 6 6 Octahedral 1.002 +RATDOF Co 2 1 27 3 6 6 Octahedral 1.017 +ARIMUJ Co 1 1 27 3 6 6 Octahedral 0.983 +NOZPAT Co 0 1 27 3 6 6 Octahedral 0.971 +DUCGUD Co 1 1 27 3 6 6 Octahedral 0.975 +VABKUE Co 2 1 27 3 6 6 Octahedral 1.022 +LAPNIZ Co 0 1 27 3 6 6 Octahedral 1.002 +ZIXMOI Co 1 1 27 3 6 6 Octahedral 0.989 +EAIVCO Co 0 1 27 3 6 6 Octahedral 1.004 +KEHJOY Co 0 1 27 3 6 6 Octahedral 0.99 +QAFPAO Co 1 1 27 3 6 6 Octahedral 0.981 +MIKROO Co 0 1 27 3 6 6 Octahedral 0.964 +YISQAT Co 0 1 27 3 6 6 Octahedral 0.977 +QIGRON Co 0 1 27 3 6 6 Octahedral 0.99 +WEMNIM Co 1 1 27 3 6 6 Octahedral 0.985 +MAKPIX Co 1 1 27 3 6 6 Octahedral 0.983 +YETBOP Co 1 1 27 3 6 6 Octahedral 0.986 +YETBUV Co 1 1 27 3 6 6 Octahedral 0.971 +KAKVUO Co 1 1 27 3 6 6 Octahedral 0.962 +PUTTUT Co 1 1 27 3 6 6 Octahedral 0.962 +MABLUA Co 1 1 27 3 6 6 Octahedral 0.966 +JAYNAB Co 0 1 27 3 6 6 Octahedral 0.915 +SIPLEI Co 2 1 27 3 6 6 Octahedral 0.996 +PEXKAF Co 2 1 27 3 6 6 Octahedral 0.99 +BISXIK Co 0 1 27 3 6 6 Octahedral 0.949 +HERHAN Co 1 1 27 3 6 6 Octahedral 0.983 +TEVXIC Co 2 1 27 3 6 6 Octahedral 0.968 +HERGUG Co 0 1 27 3 6 6 Octahedral 0.981 +KIDRIY Co -1 1 27 3 6 6 Octahedral 0.955 +EYAQEA Co 3 1 27 3 6 6 Octahedral 0.99 +QOGNAD Co 1 1 27 3 6 6 Octahedral 0.983 +XAKPUU Co 4 1 27 3 6 6 Octahedral 0.999 +WERKIN Co -3 1 27 3 6 6 Octahedral 0.995 +NCACON Co 2 1 27 3 6 6 Octahedral 0.991 +PATACO10 Co 2 1 27 3 6 6 Octahedral 0.99 +MAENCO Co 2 1 27 3 6 6 Octahedral 0.998 +YETCAC Co 3 1 27 3 6 6 Octahedral 1.006 +QILWUD Co 2 1 27 3 6 6 Octahedral 0.997 +IBUQOL Co 2 1 27 3 6 6 Octahedral 0.99 +BOTQEH Co 2 1 27 3 6 6 Octahedral 0.986 +GAPZEC Co 1 1 27 3 6 6 Octahedral 0.993 +APRCOB Co 1 1 27 3 6 6 Octahedral 0.985 +ULONEP Co 3 1 27 3 6 6 Octahedral 0.998 +ENTXCO Co 1 1 27 3 6 6 Octahedral 0.987 +BOHGAG Co 3 1 27 3 6 6 Octahedral 1.002 +ZEQLUE Co 1 1 27 3 6 6 Octahedral 0.962 +HELJAJ Co 1 1 27 3 6 6 Octahedral 0.978 +PUWMAX Co 1 1 27 3 6 6 Octahedral 0.989 +VARVIU Co 3 1 27 3 6 6 Octahedral 0.982 +PERJIG Co 3 1 27 3 6 6 Octahedral 0.974 +GEWNAX Co 3 1 27 3 6 6 Octahedral 0.971 +ZENBOJ Co -1 1 27 3 6 6 Octahedral 0.976 +SICCAL Co 1 1 27 3 6 6 Octahedral 0.965 +MCYSCO Co 1 1 27 3 6 6 Octahedral 0.979 +ZEWDIO Co 0 1 27 3 6 6 Octahedral 0.957 +UBICEP Co 2 1 27 3 6 6 Octahedral 0.962 +YETCIK Co 2 1 27 3 6 6 Octahedral 0.989 +PORPOB Co 3 1 27 3 6 6 Octahedral 0.977 +PAACCO Co 0 1 27 3 6 6 Octahedral 0.975 +YETCEG Co 1 1 27 3 6 6 Octahedral 0.978 +FEVNAW Co 0 1 27 3 6 6 Octahedral 0.991 +DOGHEM Co 1 1 27 3 6 6 Octahedral 0.989 +SUKWUQ Co 1 1 27 3 6 6 Octahedral 0.97 +ROLQUE Co 0 1 27 3 6 6 Octahedral 0.961 +GUVZIH Co 0 1 27 3 6 6 Octahedral 0.96 +PUTVAB Co 2 1 27 3 6 6 Octahedral 0.96 +WELPIM Co 1 1 27 3 6 6 Octahedral 0.946 +CADHOE Co 1 1 27 3 6 6 Octahedral 0.947 +TDTCCO Co 0 1 27 3 6 6 Octahedral 0.973 +VESZUP Co 0 1 27 3 6 6 Octahedral 0.941 +WAVVEX Ni 0 1 28 0 8 3 Trigonal planar 0.883 +MISLOP Ni 0 1 28 0 8 4 Tetrahedral 0.889 +WAVTOF Ni 0 1 28 0 8 4 Tetrahedral 0.894 +BOJPOI Ni 0 1 28 0 8 4 Tetrahedral 0.873 +MISLUV Ni 0 1 28 0 8 4 Tetrahedral 0.871 +XUBJEK Ni 0 1 28 0 8 4 Tetrahedral 0.862 +WALJUR Ni 0 1 28 0 8 4 Tetrahedral 0.922 +WALJOL Ni 0 1 28 0 8 4 Tetrahedral 0.889 +DIBHIF Ni 0 1 28 0 8 5 Pentagon 0.99 +JARKIX Ni 0 3 28 2 8 2 Linear 0.906 +OPAKUM Ni 0 1 28 2 8 3 T-shaped 0.931 +SOGFAY Ni 0 1 28 2 8 3 T-shaped 0.901 +YOLDAG Ni -1 1 28 2 8 3 T-shaped 0.944 +KEBXOG Ni 0 3 28 2 8 3 T-shaped 0.966 +GAXYOW Ni 0 3 28 2 8 3 T-shaped 0.973 +IJUDAV Ni 0 1 28 2 8 3 Trigonal planar 0.881 +LIHSUS Ni -1 3 28 2 8 3 Trigonal planar 0.944 +ZEHMEG Ni 0 1 28 2 8 3 Trigonal planar 0.874 +WUXVOA Ni 0 3 28 2 8 3 Trigonal planar 0.97 +TOLZOK Ni 0 1 28 2 8 3 Trigonal planar 0.901 +ZUQLAA Ni 0 3 28 2 8 3 Trigonal planar 0.983 +FUYTOK Ni -1 3 28 2 8 3 Trigonal planar 0.937 +FUYTEA Ni 0 3 28 2 8 3 Trigonal planar 0.937 +ELUTAI Ni 0 3 28 2 8 4 Seesaw 1.037 +QASCUI Ni 0 3 28 2 8 4 Seesaw 1.017 +BAJWAL Ni 0 3 28 2 8 4 Seesaw 1.002 +YOBCUO Ni 0 3 28 2 8 4 Seesaw 1.03 +PUJSOC Ni 1 1 28 2 8 4 Seesaw 0.881 +TOBWEO Ni 0 3 28 2 8 4 Seesaw 1.024 +FAYVAF Ni 0 1 28 2 8 4 Seesaw 0.911 +BAJWEP Ni 0 3 28 2 8 4 Seesaw 0.997 +VEWQUK Ni 0 3 28 2 8 4 Seesaw 1.006 +GIYGUT Ni 0 3 28 2 8 4 Seesaw 1.018 +XADCIP Ni 0 1 28 2 8 4 Seesaw 0.903 +GINSUS Ni 0 1 28 2 8 4 Square planar 0.894 +BEMNAK Ni 0 1 28 2 8 4 Square planar 0.927 +CUXXOL Ni 0 1 28 2 8 4 Square planar 0.906 +KIKBEM Ni 0 1 28 2 8 4 Square planar 0.99 +YIJGII Ni 0 1 28 2 8 4 Square planar 0.915 +UTEMIR Ni 0 1 28 2 8 4 Square planar 0.89 +JIVQEL Ni 0 1 28 2 8 4 Square planar 0.904 +LODFAL Ni 0 1 28 2 8 4 Square planar 0.972 +LUJREN Ni -1 1 28 2 8 4 Square planar 0.927 +VIBPOM Ni 1 1 28 2 8 4 Square planar 0.924 +XOZXIV Ni 0 1 28 2 8 4 Square planar 0.95 +OROFEH Ni 0 1 28 2 8 4 Square planar 0.932 +KAJHUC Ni 0 1 28 2 8 4 Square planar 0.961 +KOHMAW Ni 0 1 28 2 8 4 Square planar 0.918 +BOMVEF Ni 0 1 28 2 8 4 Square planar 0.918 +ARIVEE Ni 0 1 28 2 8 4 Square planar 0.952 +VEWDIN Ni 0 1 28 2 8 4 Square planar 0.938 +DEDREK Ni 0 1 28 2 8 4 Square planar 0.941 +YIYDAM Ni 0 1 28 2 8 4 Square planar 0.897 +ZUTHEB Ni 0 1 28 2 8 4 Square planar 0.919 +GENYOP Ni 0 1 28 2 8 4 Square planar 0.91 +VIBWUZ Ni 0 1 28 2 8 4 Square planar 0.923 +HUBLUM Ni -1 1 28 2 8 4 Square planar 0.916 +HERVOQ Ni 1 1 28 2 8 4 Square planar 0.908 +GOXBOK Ni 0 1 28 2 8 4 Square planar 0.923 +OFEXAA Ni -2 1 28 2 8 4 Square planar 0.918 +TODDUL Ni -2 1 28 2 8 4 Square planar 0.908 +EDUPOL Ni 0 1 28 2 8 4 Square planar 0.945 +LUJROX Ni 0 1 28 2 8 4 Square planar 0.927 +AREJUD Ni 0 1 28 2 8 4 Square planar 0.955 +VOGGOO Ni 0 1 28 2 8 4 Square planar 0.987 +HIPCIS Ni 0 1 28 2 8 4 Square planar 0.935 +XOCJAB Ni 0 1 28 2 8 4 Square planar 0.975 +EDIJIL Ni 0 1 28 2 8 4 Square planar 0.955 +XOCJUV Ni 0 1 28 2 8 4 Square planar 0.948 +SIFQAA Ni 0 1 28 2 8 4 Square planar 0.944 +DOKQOJ Ni 0 1 28 2 8 4 Square planar 0.944 +QUHKIO Ni 0 1 28 2 8 4 Square planar 0.945 +IHUDUL Ni 0 1 28 2 8 4 Square planar 0.928 +ALOTUR Ni 0 1 28 2 8 4 Square planar 0.928 +UNILIN Ni 0 1 28 2 8 4 Square planar 0.924 +LAQJIX Ni 0 1 28 2 8 4 Square planar 0.95 +RABJOX Ni 0 1 28 2 8 4 Square planar 1.025 +KOBTOL Ni 0 1 28 2 8 4 Square planar 0.96 +WIJLUZ Ni 0 1 28 2 8 4 Square planar 0.966 +YABLIW Ni 0 1 28 2 8 4 Square planar 0.921 +FIWLEE Ni 0 1 28 2 8 4 Square planar 0.968 +RUXYER Ni 0 1 28 2 8 4 Square planar 0.961 +XEGPEF Ni 0 1 28 2 8 4 Square planar 0.952 +BOLVAA Ni 0 1 28 2 8 4 Square planar 0.95 +EYEYEM Ni 0 1 28 2 8 4 Square planar 0.901 +ALOTOL Ni 0 1 28 2 8 4 Square planar 0.924 +LEMVOQ Ni 0 1 28 2 8 4 Square planar 0.952 +XUPSIL Ni 0 1 28 2 8 4 Square planar 0.948 +GAWNAU Ni 0 1 28 2 8 4 Square planar 0.984 +TIBKOH Ni 0 1 28 2 8 4 Square planar 0.962 +YOYXES Ni 0 1 28 2 8 4 Square planar 0.951 +VIGLOP Ni 0 1 28 2 8 4 Square planar 0.948 +HEYKOL Ni 0 1 28 2 8 4 Square planar 0.906 +DOPROS Ni 0 1 28 2 8 4 Square planar 0.951 +MIJPAZ Ni 0 1 28 2 8 4 Square planar 0.946 +KUHJED Ni 1 1 28 2 8 4 Square planar 0.865 +DIJQAR Ni 0 1 28 2 8 4 Square planar 0.986 +CEKJIO Ni 0 1 28 2 8 4 Square planar 0.959 +ORESUC Ni 0 1 28 2 8 4 Square planar 0.937 +UNOFEJ Ni 0 1 28 2 8 4 Square planar 0.896 +UPIDIH Ni 1 1 28 2 8 4 Square planar 0.981 +RADLEO Ni 0 1 28 2 8 4 Square planar 0.977 +RIXTIC Ni 0 1 28 2 8 4 Square planar 0.96 +MORDOM Ni 0 1 28 2 8 4 Square planar 0.99 +ZALRUZ Ni 0 1 28 2 8 4 Square planar 0.961 +FEGVUJ Ni 1 1 28 2 8 4 Square planar 0.944 +JADKII Ni 0 1 28 2 8 4 Square planar 0.952 +TUPMAV Ni 0 1 28 2 8 4 Square planar 0.954 +DIJPOE Ni 1 1 28 2 8 4 Square planar 0.961 +HUBMUN Ni -1 1 28 2 8 4 Square planar 0.938 +TIVZIJ Ni 0 1 28 2 8 4 Square planar 0.981 +JAXFIX Ni 0 1 28 2 8 4 Square planar 0.954 +TOBBAP Ni 0 1 28 2 8 4 Square planar 0.943 +JIZNEM Ni 0 1 28 2 8 4 Square planar 0.923 +AJAFEX Ni 0 1 28 2 8 4 Square planar 0.923 +XAJWOU Ni 0 1 28 2 8 4 Square planar 0.929 +FAVZUY Ni 0 1 28 2 8 4 Square planar 0.915 +RISQOC Ni 0 1 28 2 8 4 Square planar 0.91 +XIXTEE Ni 0 1 28 2 8 4 Square planar 0.919 +VUMCIP Ni 0 1 28 2 8 4 Square planar 0.968 +EVACOT Ni 0 1 28 2 8 4 Square planar 0.932 +OBOKOF Ni 0 1 28 2 8 4 Square planar 0.917 +OHUSEQ Ni 0 1 28 2 8 4 Square planar 0.972 +VEYTAX Ni 0 1 28 2 8 4 Square planar 0.973 +XUYWAQ Ni 0 1 28 2 8 4 Square planar 0.938 +XULXAG Ni 0 1 28 2 8 4 Square planar 0.927 +QAHWUT Ni 0 1 28 2 8 4 Square planar 0.927 +VEYTEB Ni 0 1 28 2 8 4 Square planar 0.928 +TINTUG Ni 0 1 28 2 8 4 Square planar 0.929 +KIQGOG Ni 0 1 28 2 8 4 Square planar 0.934 +CLSINI10 Ni 0 1 28 2 8 4 Square planar 0.932 +UGODAW Ni 0 1 28 2 8 4 Square planar 0.955 +EDOZAA Ni 0 1 28 2 8 4 Square planar 0.91 +MEDCOO Ni -1 1 28 2 8 4 Square planar 0.91 +HOYFUW Ni -1 1 28 2 8 4 Square planar 0.91 +CODWAU Ni 0 1 28 2 8 4 Square planar 0.909 +UTEMOX Ni 0 1 28 2 8 4 Square planar 0.894 +AFUDAH Ni 0 1 28 2 8 4 Square planar 0.973 +SEMCUK Ni 0 1 28 2 8 4 Square planar 0.908 +HOTXIX Ni 0 1 28 2 8 4 Square planar 0.922 +OBIVAX Ni 2 1 28 2 8 4 Square planar 0.925 +LOPXOD Ni 0 1 28 2 8 4 Square planar 0.942 +ZASROA Ni 2 1 28 2 8 4 Square planar 0.986 +ZASRUG Ni 1 1 28 2 8 4 Square planar 0.984 +WOWTOR Ni 2 1 28 2 8 4 Square planar 0.965 +BEXKOE Ni 0 1 28 2 8 4 Square planar 0.94 +DIGJEJ Ni 0 1 28 2 8 4 Square planar 0.924 +BEXZIN Ni 0 1 28 2 8 4 Square planar 0.935 +MINNAZ Ni 0 1 28 2 8 4 Square planar 0.944 +ZILSEU Ni 2 1 28 2 8 4 Square planar 1.052 +KANYON Ni 1 1 28 2 8 4 Square planar 0.947 +QAHQAT Ni 1 1 28 2 8 4 Square planar 0.947 +WEJKOL Ni 0 1 28 2 8 4 Square planar 0.94 +DIRPOJ Ni 0 1 28 2 8 4 Square planar 0.949 +HOPYIW Ni 0 1 28 2 8 4 Square planar 0.938 +LUHPIO Ni 1 1 28 2 8 4 Square planar 0.967 +REMMOM Ni 0 1 28 2 8 4 Square planar 0.919 +KISKON Ni 1 1 28 2 8 4 Square planar 0.974 +RORXUR Ni 0 1 28 2 8 4 Square planar 0.967 +LEPYOV Ni 0 1 28 2 8 4 Square planar 1.035 +SIBLIZ Ni 1 1 28 2 8 4 Square planar 0.955 +VOPCIM Ni 0 1 28 2 8 4 Square planar 0.956 +ZZZTMK03 Ni 0 1 28 2 8 4 Square planar 0.936 +LOHMUS Ni 0 1 28 2 8 4 Square planar 0.95 +TARWIU Ni 0 1 28 2 8 4 Square planar 0.956 +XUKHOC Ni 0 1 28 2 8 4 Square planar 0.931 +BAZSUR Ni 0 1 28 2 8 4 Square planar 0.921 +ISIPUV Ni 0 1 28 2 8 4 Square planar 0.903 +CNITSC Ni 2 1 28 2 8 4 Square planar 0.945 +HOPCEU Ni 2 1 28 2 8 4 Square planar 0.939 +KIJXAC01 Ni 0 1 28 2 8 4 Square planar 0.942 +BABPAX Ni -2 1 28 2 8 4 Square planar 0.923 +HAHHII Ni 0 1 28 2 8 4 Square planar 0.945 +HIQLUR Ni 0 1 28 2 8 4 Square planar 0.952 +RIPQAL Ni 0 1 28 2 8 4 Square planar 0.947 +QEWGOR Ni 0 1 28 2 8 4 Square planar 0.939 +KISKED Ni 1 1 28 2 8 4 Square planar 0.952 +LIGBUA Ni 0 1 28 2 8 4 Square planar 0.933 +SILCIZ Ni 0 1 28 2 8 4 Square planar 0.942 +ROFXAO Ni 0 1 28 2 8 4 Square planar 0.949 +SUXTEL Ni 1 1 28 2 8 4 Square planar 0.927 +MAGGEK Ni 0 1 28 2 8 4 Square planar 0.92 +SOSVAX Ni 0 1 28 2 8 4 Square planar 0.934 +HERTII Ni 2 1 28 2 8 4 Square planar 0.933 +ITITOU Ni 0 1 28 2 8 4 Square planar 0.921 +UMUBAF Ni 1 1 28 2 8 4 Square planar 0.931 +HUBLEW Ni -1 1 28 2 8 4 Square planar 0.928 +UQAREK Ni 0 1 28 2 8 4 Square planar 0.969 +QOSTAT Ni 2 1 28 2 8 4 Square planar 0.977 +XAWVEX Ni 0 1 28 2 8 4 Square planar 0.968 +YABPEW Ni 0 1 28 2 8 4 Square planar 0.947 +MTACNI Ni 0 1 28 2 8 4 Square planar 0.932 +YAPGUS Ni 0 1 28 2 8 4 Square planar 0.935 +HOTRIS Ni 0 1 28 2 8 4 Square planar 0.912 +ROLXIZ Ni 1 1 28 2 8 4 Square planar 0.899 +EXOCEA Ni 0 1 28 2 8 4 Square planar 0.915 +LEZQUC Ni 2 1 28 2 8 4 Square planar 0.937 +YULMUP Ni 0 1 28 2 8 4 Square planar 0.952 +KIBBED Ni 1 1 28 2 8 4 Square planar 0.911 +WAQVIT Ni 0 1 28 2 8 4 Square planar 0.894 +WIYCUF Ni 0 1 28 2 8 4 Square planar 0.895 +DOMMUO Ni 0 1 28 2 8 4 Square planar 0.924 +NEYVUI Ni 0 1 28 2 8 4 Square planar 0.949 +CEQSEW Ni 0 1 28 2 8 4 Square planar 0.884 +BIBDOG Ni -1 1 28 2 8 4 Square planar 0.897 +VIJVIT Ni -2 1 28 2 8 4 Square planar 0.923 +CECKEB Ni -2 1 28 2 8 4 Square planar 0.902 +PEQMEE Ni -2 1 28 2 8 4 Square planar 0.91 +ERIQIG Ni -2 1 28 2 8 4 Square planar 0.91 +CAMRAM Ni -2 1 28 2 8 4 Square planar 0.924 +LAMLOC Ni -2 1 28 2 8 4 Square planar 0.919 +IPEPNI Ni 0 1 28 2 8 4 Square planar 0.918 +EXUKEP Ni -2 1 28 2 8 4 Square planar 0.942 +NIDTHC11 Ni 0 1 28 2 8 4 Square planar 0.935 +GOQYUG Ni 0 1 28 2 8 4 Square planar 0.942 +CEBZIS Ni -2 1 28 2 8 4 Square planar 0.915 +TEPCUM Ni 0 1 28 2 8 4 Square planar 0.926 +ASENIA Ni -2 1 28 2 8 4 Square planar 0.953 +DOMMEY Ni 0 1 28 2 8 4 Square planar 0.934 +QIMXUI Ni -2 1 28 2 8 4 Square planar 0.884 +JUGHAU Ni -2 1 28 2 8 4 Square planar 0.879 +KOBYOQ Ni 0 1 28 2 8 4 Square planar 0.913 +MIVGIH Ni -2 3 28 2 8 4 Tetrahedral 0.961 +GIFFOS Ni -1 3 28 2 8 4 Tetrahedral 0.972 +DIDMEK Ni -1 3 28 2 8 4 Tetrahedral 0.944 +AHABER Ni 0 3 28 2 8 4 Tetrahedral 1.004 +MEHKOA Ni -2 3 28 2 8 4 Tetrahedral 0.985 +OBOKAR Ni 0 3 28 2 8 4 Tetrahedral 1.007 +VEXXIH Ni 0 3 28 2 8 4 Tetrahedral 0.99 +XOXSUA Ni -1 3 28 2 8 4 Tetrahedral 1.006 +FIFDUU Ni 0 3 28 2 8 4 Tetrahedral 0.99 +FOGQOI Ni 0 3 28 2 8 4 Tetrahedral 0.975 +NOPTES Ni 0 3 28 2 8 4 Tetrahedral 0.969 +BAJWOZ Ni 0 3 28 2 8 4 Tetrahedral 0.991 +MAJCAC Ni 0 3 28 2 8 4 Tetrahedral 0.948 +YOJQEU Ni 0 3 28 2 8 4 Tetrahedral 0.965 +YOJQIY Ni 0 3 28 2 8 4 Tetrahedral 0.952 +PIVDAB Ni 1 3 28 2 8 4 Tetrahedral 1.037 +AHABIV Ni 0 3 28 2 8 4 Tetrahedral 1.032 +NEZBIG Ni -2 3 28 2 8 4 Tetrahedral 1.009 +SAHHAN Ni -1 3 28 2 8 4 Tetrahedral 1.008 +AZIDIY Ni -1 3 28 2 8 4 Tetrahedral 1.012 +DIDMAG Ni -1 3 28 2 8 4 Tetrahedral 0.98 +PARSOR Ni 0 3 28 2 8 4 Tetrahedral 1.023 +XARGON Ni 0 3 28 2 8 4 Tetrahedral 0.996 +BUBLEQ Ni 0 3 28 2 8 4 Tetrahedral 0.975 +PATQEG Ni 0 3 28 2 8 4 Tetrahedral 0.981 +SIZMUL Ni 0 3 28 2 8 4 Tetrahedral 1.019 +OEPHNI Ni 0 3 28 2 8 4 Tetrahedral 0.985 +LAMXAA Ni 0 3 28 2 8 4 Tetrahedral 1.01 +UXOBEQ Ni 0 3 28 2 8 4 Tetrahedral 1.011 +AHUCUE Ni 0 3 28 2 8 4 Tetrahedral 1.013 +XADCOV Ni 0 3 28 2 8 4 Tetrahedral 1.003 +JAPTAV Ni 0 3 28 2 8 4 Tetrahedral 0.972 +XIMROB Ni 0 3 28 2 8 4 Tetrahedral 0.996 +XIMYUO Ni 0 3 28 2 8 4 Tetrahedral 0.971 +TOLZUQ Ni 0 3 28 2 8 4 Tetrahedral 1.007 +ETAKIT Ni -2 3 28 2 8 4 Tetrahedral 0.977 +OLOZAR Ni 0 3 28 2 8 4 Tetrahedral 1.0 +FUNHUS Ni -1 3 28 2 8 4 Tetrahedral 1.016 +IZOJIS Ni 0 3 28 2 8 4 Tetrahedral 1.048 +UXOHAS02 Ni 0 3 28 2 8 4 Tetrahedral 1.027 +JIYYIA Ni 0 3 28 2 8 4 Tetrahedral 1.006 +ISALNI Ni 0 3 28 2 8 4 Tetrahedral 1.006 +MUFXIU Ni 0 3 28 2 8 4 Tetrahedral 1.003 +VUTSUY Ni 0 3 28 2 8 4 Tetrahedral 0.999 +KULBUO Ni 0 3 28 2 8 4 Tetrahedral 0.993 +XOTGOC Ni 0 3 28 2 8 4 Tetrahedral 1.018 +LONGAW Ni 0 3 28 2 8 4 Tetrahedral 1.023 +LONGEA Ni 0 3 28 2 8 4 Tetrahedral 1.028 +CUVGOP01 Ni -2 3 28 2 8 4 Tetrahedral 1.005 +XIXTAA Ni 0 3 28 2 8 4 Tetrahedral 0.981 +KOBYIK Ni 0 3 28 2 8 4 Tetrahedral 0.968 +MAXGIC Ni 0 1 28 2 8 5 Square pyramidal 0.977 +ELAKOR Ni 0 1 28 2 8 5 Square pyramidal 1.018 +BOKZEH Ni 0 3 28 2 8 5 Square pyramidal 1.056 +GITYOY Ni 0 3 28 2 8 5 Square pyramidal 1.112 +LUYMAU Ni 0 3 28 2 8 5 Square pyramidal 1.069 +KUBHIZ Ni 0 3 28 2 8 5 Square pyramidal 1.065 +LUZXEL Ni 0 3 28 2 8 5 Square pyramidal 1.053 +DEDROU Ni 0 3 28 2 8 5 Square pyramidal 1.065 +GEZGIE Ni 0 3 28 2 8 5 Square pyramidal 1.067 +CORHUN Ni 0 3 28 2 8 5 Square pyramidal 1.048 +ENUSEN Ni 0 1 28 2 8 5 Square pyramidal 1.052 +WABZAC Ni 0 1 28 2 8 5 Square pyramidal 1.003 +FISGAS Ni 1 3 28 2 8 5 Square pyramidal 1.132 +QOMLOU Ni 0 3 28 2 8 5 Square pyramidal 1.085 +HUWTIF Ni 2 1 28 2 8 5 Square pyramidal 0.957 +MUMPAL Ni -1 3 28 2 8 5 Square pyramidal 1.085 +HEFGEG Ni 0 3 28 2 8 5 Square pyramidal 1.087 +LEDQUH Ni 0 3 28 2 8 5 Square pyramidal 1.079 +VEWVEZ Ni 0 3 28 2 8 5 Square pyramidal 1.093 +KIDMEQ Ni 0 3 28 2 8 5 Square pyramidal 1.107 +MIJVAE Ni 0 3 28 2 8 5 Square pyramidal 1.079 +CEPFEI Ni 0 3 28 2 8 5 Square pyramidal 1.053 +ZUNDIN Ni 0 1 28 2 8 5 Square pyramidal 1.008 +ILODOD Ni 1 3 28 2 8 5 Square pyramidal 1.13 +MODREE Ni 0 3 28 2 8 5 Square pyramidal 1.084 +TUJWIE Ni 1 1 28 2 8 5 Square pyramidal 1.032 +NUYHOE Ni 1 1 28 2 8 5 Square pyramidal 0.978 +LULDOM Ni -3 3 28 2 8 5 Square pyramidal 1.056 +TOWCEN Ni 0 3 28 2 8 5 Square pyramidal 1.091 +XOQZOT Ni 1 3 28 2 8 5 Square pyramidal 1.094 +ECEXIU Ni 0 3 28 2 8 5 Square pyramidal 1.103 +PIBPOH Ni 1 3 28 2 8 5 Square pyramidal 1.081 +DOHXED Ni 1 3 28 2 8 5 Square pyramidal 1.133 +BATSIY Ni 1 3 28 2 8 5 Square pyramidal 1.09 +YECSIK Ni 1 3 28 2 8 5 Square pyramidal 1.063 +WIVQOI Ni 0 3 28 2 8 5 Square pyramidal 1.091 +HIMYAD Ni 0 3 28 2 8 5 Square pyramidal 1.077 +GEGBUQ Ni 0 3 28 2 8 5 Square pyramidal 1.069 +KEZRIR Ni 1 3 28 2 8 5 Square pyramidal 1.09 +HIMKOE Ni 1 3 28 2 8 5 Square pyramidal 1.082 +LIXMOX Ni 0 3 28 2 8 5 Square pyramidal 1.075 +LIXMUD Ni 0 3 28 2 8 5 Square pyramidal 1.073 +WELREL Ni 0 3 28 2 8 5 Square pyramidal 1.119 +AACANI11 Ni 0 3 28 2 8 5 Square pyramidal 1.046 +NETTOX Ni 0 3 28 2 8 5 Square pyramidal 1.087 +HALBEB Ni 0 3 28 2 8 5 Square pyramidal 1.087 +FOTSIR Ni 0 3 28 2 8 5 Square pyramidal 1.087 +LODBEL Ni 0 3 28 2 8 5 Square pyramidal 1.06 +PEMENI Ni 1 1 28 2 8 5 Square pyramidal 1.046 +UWIPOG Ni 0 3 28 2 8 5 Square pyramidal 1.102 +YUJZAF Ni 0 1 28 2 8 5 Square pyramidal 1.058 +GENQAS Ni 0 3 28 2 8 5 Square pyramidal 1.078 +CAWPOG Ni 2 1 28 2 8 5 Square pyramidal 1.017 +NAMYOQ Ni 0 3 28 2 8 5 Square pyramidal 1.091 +TITRAQ Ni 0 3 28 2 8 5 Square pyramidal 1.094 +XIXTII Ni 0 3 28 2 8 5 Square pyramidal 1.073 +GILZIK Ni 0 1 28 2 8 5 Square pyramidal 1.007 +MEDCUU Ni 0 1 28 2 8 5 Square pyramidal 0.975 +VUDDON Ni 0 1 28 2 8 5 Square pyramidal 0.997 +YADKET Ni 0 1 28 2 8 5 Square pyramidal 0.998 +DUMCUJ Ni 0 1 28 2 8 5 Square pyramidal 1.015 +MAXGOI Ni 0 1 28 2 8 5 Square pyramidal 0.996 +PEXKUB Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.049 +RONREU Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.053 +JAVLOK Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.048 +GEZGEA Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.063 +EWOBUP02 Ni 1 3 28 2 8 5 Trigonal bipyramidal 1.061 +HINVUY Ni 1 1 28 2 8 5 Trigonal bipyramidal 0.937 +ENUSAJ Ni 0 1 28 2 8 5 Trigonal bipyramidal 1.013 +MAJWUT Ni 0 1 28 2 8 5 Trigonal bipyramidal 1.024 +KOCNUM Ni 0 1 28 2 8 5 Trigonal bipyramidal 0.939 +RAWPUB Ni 0 1 28 2 8 5 Trigonal bipyramidal 0.951 +LISJEC Ni 0 1 28 2 8 5 Trigonal bipyramidal 0.972 +BAPKEI Ni 1 1 28 2 8 5 Trigonal bipyramidal 0.969 +AHIGOO Ni 0 1 28 2 8 5 Trigonal bipyramidal 0.947 +TOLBEB Ni -1 1 28 2 8 5 Trigonal bipyramidal 0.94 +AZOCNI16 Ni 1 3 28 2 8 5 Trigonal bipyramidal 1.099 +MAZOCT Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.092 +HABRAG Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.078 +YAPZIA Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.08 +AYOYES Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.07 +TUKGUB Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.078 +QIWCUU Ni 0 1 28 2 8 5 Trigonal bipyramidal 0.992 +SIXZAA Ni 0 1 28 2 8 5 Trigonal bipyramidal 1.007 +TIVNUJ Ni 1 3 28 2 8 5 Trigonal bipyramidal 1.108 +HUPLIQ Ni 1 3 28 2 8 5 Trigonal bipyramidal 1.105 +BAJVUE Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.078 +PEHZOU Ni 0 1 28 2 8 5 Trigonal bipyramidal 0.912 +CUHGUK Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.073 +IMETNI01 Ni 1 3 28 2 8 5 Trigonal bipyramidal 1.11 +WUPWOU Ni 2 3 28 2 8 5 Trigonal bipyramidal 1.08 +CASLOX Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.104 +RIRCIH Ni 2 3 28 2 8 5 Trigonal bipyramidal 1.116 +RACNIV Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.086 +QETVAM Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.097 +ENUREM Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.074 +SALDNI Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.074 +IVUTEY Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.098 +HAYLOI Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.067 +DUPMUX Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.102 +LALPET Ni 0 1 28 2 8 5 Trigonal bipyramidal 0.955 +LIFVOM Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.085 +UWIPEW Ni 0 3 28 2 8 5 Trigonal bipyramidal 1.132 +ITEXAH Ni 1 1 28 2 8 5 Trigonal bipyramidal 0.96 +ROCDOC Ni 2 1 28 2 8 5 Trigonal bipyramidal 0.948 +TEZKIS Ni 2 1 28 2 8 5 Trigonal bipyramidal 0.97 +MEDCEE Ni -1 1 28 2 8 5 Trigonal bipyramidal 0.962 +LUWDAI Ni 0 3 28 2 8 6 Octahedral 1.161 +ELUSUB Ni 0 3 28 2 8 6 Octahedral 1.174 +QOJDEZ Ni 0 3 28 2 8 6 Octahedral 1.098 +PANGER Ni 0 3 28 2 8 6 Octahedral 1.127 +FUMKIH Ni 0 3 28 2 8 6 Octahedral 1.117 +INILOI Ni 0 3 28 2 8 6 Octahedral 1.104 +KAHDOP Ni 0 3 28 2 8 6 Octahedral 1.121 +BIHKAE Ni 0 3 28 2 8 6 Octahedral 1.106 +FAZPEE Ni 0 3 28 2 8 6 Octahedral 1.166 +CAGSOV Ni 1 3 28 2 8 6 Octahedral 1.143 +COBGAB Ni 1 3 28 2 8 6 Octahedral 1.14 +LINSOR Ni 1 3 28 2 8 6 Octahedral 1.121 +UFUVUP Ni 1 3 28 2 8 6 Octahedral 1.116 +KAXXIR Ni 0 3 28 2 8 6 Octahedral 1.162 +KOBREZ Ni 0 3 28 2 8 6 Octahedral 1.138 +LUWCUB Ni 0 3 28 2 8 6 Octahedral 1.16 +AFAVIO Ni 0 3 28 2 8 6 Octahedral 1.121 +TUTMAW Ni 0 3 28 2 8 6 Octahedral 1.119 +UCISAA Ni 0 3 28 2 8 6 Octahedral 1.118 +SUVREI Ni 0 3 28 2 8 6 Octahedral 1.144 +FANFAD Ni 0 3 28 2 8 6 Octahedral 1.124 +DUSSAL Ni 0 3 28 2 8 6 Octahedral 1.103 +FEXTUY Ni 0 3 28 2 8 6 Octahedral 1.113 +QAFCEG Ni 0 3 28 2 8 6 Octahedral 1.106 +JODGOZ Ni 0 3 28 2 8 6 Octahedral 1.122 +ATOCOC Ni 0 3 28 2 8 6 Octahedral 1.126 +MTHUNI Ni 0 3 28 2 8 6 Octahedral 1.142 +RIQSAM Ni 1 3 28 2 8 6 Octahedral 1.143 +TUTKEA Ni 1 3 28 2 8 6 Octahedral 1.115 +CPMSNI10 Ni 1 3 28 2 8 6 Octahedral 1.126 +QUGQUF Ni 1 3 28 2 8 6 Octahedral 1.115 +NEFQEU Ni 1 3 28 2 8 6 Octahedral 1.148 +AGAMIH Ni 1 3 28 2 8 6 Octahedral 1.113 +TETFON Ni 1 3 28 2 8 6 Octahedral 1.158 +PIGDIS Ni 1 3 28 2 8 6 Octahedral 1.108 +RUHGUW Ni 0 3 28 2 8 6 Octahedral 1.152 +JAZXOX Ni 0 3 28 2 8 6 Octahedral 1.148 +EJUSEK Ni 1 3 28 2 8 6 Octahedral 1.138 +ITOQIS Ni 0 3 28 2 8 6 Octahedral 1.137 +DEFPEJ Ni 0 3 28 2 8 6 Octahedral 1.106 +ABOTNI Ni 0 3 28 2 8 6 Octahedral 1.106 +FAGKEE Ni 0 3 28 2 8 6 Octahedral 1.151 +URIRUL Ni 0 1 28 2 8 6 Octahedral 1.148 +USORUS Ni 1 3 28 2 8 6 Octahedral 1.121 +RETGON Ni 1 3 28 2 8 6 Octahedral 1.098 +PASGIZ Ni 1 3 28 2 8 6 Octahedral 1.158 +XENBIE Ni 2 3 28 2 8 6 Octahedral 1.093 +TIGGEW Ni -4 3 28 2 8 6 Octahedral 1.11 +MUTVUU Ni 0 3 28 2 8 6 Octahedral 1.117 +FOPJEB Ni 2 3 28 2 8 6 Octahedral 1.147 +RAPJAT Ni 0 3 28 2 8 6 Octahedral 1.123 +TEANIN Ni 2 3 28 2 8 6 Octahedral 1.137 +HOKXAG Ni 2 3 28 2 8 6 Octahedral 1.138 +ZARXAU Ni 2 3 28 2 8 6 Octahedral 1.119 +PEKPAW Ni 2 3 28 2 8 6 Octahedral 1.135 +DOVTUD Ni 0 3 28 2 8 6 Octahedral 1.122 +GOXBAW Ni 0 3 28 2 8 6 Octahedral 1.137 +KOTBAW Ni 2 3 28 2 8 6 Octahedral 1.144 +XEYZEH Ni 2 3 28 2 8 6 Octahedral 1.148 +LUMVEU Ni 2 3 28 2 8 6 Octahedral 1.132 +VIHXAN Ni 2 3 28 2 8 6 Octahedral 1.129 +CIGBUP Ni 2 3 28 2 8 6 Octahedral 1.127 +UWIFOW Ni 1 3 28 2 8 6 Octahedral 1.145 +ZZZRXM01 Ni 1 3 28 2 8 6 Octahedral 1.136 +XADMAR Ni 1 3 28 2 8 6 Octahedral 1.126 +CUDKAN Ni 2 3 28 2 8 6 Octahedral 1.126 +IREWEK Ni 2 3 28 2 8 6 Octahedral 1.065 +TUDGII Ni 2 3 28 2 8 6 Octahedral 1.139 +PAZPAI Ni 2 3 28 2 8 6 Octahedral 1.134 +BAVNAN Ni 2 3 28 2 8 6 Octahedral 1.127 +BADHIZ Ni 0 3 28 2 8 6 Octahedral 1.135 +NIHZCH11 Ni -1 3 28 2 8 6 Octahedral 1.116 +SATGOK Ni 0 3 28 2 8 6 Octahedral 1.119 +DUXWAW Ni 2 3 28 2 8 6 Octahedral 1.122 +SITFEG Ni 0 3 28 2 8 6 Octahedral 1.102 +ABEDAN Ni 2 3 28 2 8 6 Octahedral 1.085 +QOQKIQ Ni 2 3 28 2 8 6 Octahedral 1.117 +LOSHOS Ni 0 3 28 2 8 6 Octahedral 1.13 +HIVDAS Ni 2 3 28 2 8 6 Octahedral 1.135 +AENNIN Ni 2 3 28 2 8 6 Octahedral 1.132 +GEDJEE Ni 0 3 28 2 8 6 Octahedral 1.134 +XUWPAH Ni 0 3 28 2 8 6 Octahedral 1.123 +MEHNOC Ni 0 3 28 2 8 6 Octahedral 1.128 +NOQTAP Ni 0 3 28 2 8 6 Octahedral 1.185 +DAGFAT Ni 0 3 28 2 8 6 Octahedral 1.1 +ZOJXOL Ni 2 3 28 2 8 6 Octahedral 1.112 +FEBRAF Ni 2 3 28 2 8 6 Octahedral 1.102 +YELWAN Ni 2 3 28 2 8 6 Octahedral 1.133 +SICCUC Ni 2 3 28 2 8 6 Octahedral 1.106 +ZOZGEA Ni 2 3 28 2 8 6 Octahedral 1.11 +IJOREG Ni 0 3 28 2 8 6 Octahedral 1.14 +BOZJEH Ni 2 3 28 2 8 6 Octahedral 1.126 +KISKIH Ni 0 3 28 2 8 6 Octahedral 1.13 +LIYMAH Ni 2 3 28 2 8 6 Octahedral 1.117 +KEXWIT Ni 0 3 28 2 8 6 Octahedral 1.108 +SOFWIU Ni 2 3 28 2 8 6 Octahedral 1.113 +AGOZUR Ni 0 3 28 2 8 6 Octahedral 1.119 +COFMOC Ni 2 3 28 2 8 6 Octahedral 1.119 +QALDUD Ni 0 3 28 2 8 6 Octahedral 1.119 +ILATEV Ni 0 3 28 2 8 6 Octahedral 1.108 +QAGCEG Ni -2 3 28 2 8 6 Octahedral 1.146 +QEKFET Ni 0 3 28 2 8 6 Octahedral 1.128 +CIJYID Ni 2 3 28 2 8 6 Octahedral 1.097 +PINBUJ Ni 2 3 28 2 8 6 Octahedral 1.098 +BUXJEJ Ni 2 3 28 2 8 6 Octahedral 1.078 +SEBQAS Ni 2 3 28 2 8 6 Trigonal prismatic 1.144 +EPUTOB Ni 0 3 28 2 8 7 Pentagonal bipyramidal 1.202 +LIYCUU Ni 2 3 28 2 8 7 Pentagonal bipyramidal 1.196 +CEDYAM Ni 2 3 28 2 8 7 Pentagonal bipyramidal 1.241 +KIRFAV Ni 0 3 28 2 8 7 Pentagonal bipyramidal 1.231 +POJHUT Ni 0 3 28 2 8 7 Pentagonal bipyramidal 1.219 +XUQXEO Ni 0 3 28 2 8 7 Pentagonal bipyramidal 1.227 +MUKJOS Ni -1 2 28 3 7 4 Square planar 0.982 +SIHKEA Ni 1 2 28 3 7 4 Square planar 0.924 +TAGFIR Ni -1 2 28 3 7 4 Square planar 0.897 +TAGFUD Ni -1 2 28 3 7 4 Square planar 0.887 +TECRAW Ni -1 2 28 3 7 4 Square planar 0.888 +WOKCEE Ni -1 2 28 3 7 4 Square planar 0.885 +EBIXAQ Ni -1 2 28 3 7 4 Square planar 0.889 +MUKGUU Ni -1 2 28 3 7 4 Square planar 0.896 +BEXJEW Ni -1 2 28 3 7 4 Square planar 0.89 +CETXAA Ni 0 2 28 3 7 5 Square pyramidal 0.943 +ORODOP Ni 0 2 28 3 7 5 Square pyramidal 0.973 +KOHMEA Ni 0 2 28 3 7 5 Square pyramidal 0.973 +QOYFEQ Ni 0 2 28 3 7 5 Square pyramidal 1.021 +PAHMUJ Ni 1 2 28 3 7 5 Square pyramidal 1.07 +BINCOR Ni 0 2 28 3 7 5 Square pyramidal 1.017 +HIGVAV Ni 0 2 28 3 7 5 Square pyramidal 0.994 +BUDHEN Ni 0 2 28 3 7 5 Square pyramidal 1.015 +SUBJIL Ni 0 2 28 3 7 5 Square pyramidal 0.999 +WUBGEI Ni 0 2 28 3 7 5 Square pyramidal 1.03 +RUTMAV Ni -1 2 28 3 7 5 Trigonal bipyramidal 0.96 +YETYOM Ni -1 2 28 3 7 5 Trigonal bipyramidal 0.949 +QUZWAL Ni -1 2 28 3 7 5 Trigonal bipyramidal 0.956 +GOHDEN Ni -1 2 28 3 7 5 Trigonal bipyramidal 0.961 +MEDCAA Ni 0 2 28 3 7 5 Trigonal bipyramidal 0.95 +BIBFEY Ni -1 2 28 3 7 5 Trigonal bipyramidal 0.959 +BIBDUM Ni -1 2 28 3 7 5 Trigonal bipyramidal 0.941 +SASPAD Ni 1 2 28 3 7 6 Octahedral 1.058 +QEKCAN Ni 0 2 28 3 7 6 Octahedral 1.092 +DOVMOQ Ni 0 2 28 3 7 6 Octahedral 1.078 +JADGOK Ni 1 2 28 3 7 6 Octahedral 1.082 +ESUYUM Ni 3 2 28 3 7 6 Octahedral 1.108 +LOGKEZ Ni 1 2 28 3 7 6 Octahedral 1.021 +OZEDIH Ni 3 2 28 3 7 6 Octahedral 1.062 +KEVHIC Ni -1 2 28 3 7 6 Octahedral 1.017 +WABGOW Ni 0 2 28 3 7 6 Octahedral 0.984 diff --git a/cell2mol/random_forest.py b/cell2mol/random_forest.py index d9f9822d..fa125c58 100644 --- a/cell2mol/random_forest.py +++ b/cell2mol/random_forest.py @@ -15,16 +15,29 @@ from sys import argv from cell2mol.spin import make_geom_list +""" +if metal == "total", all metals are considered in the TM-GSspin dataset +else only the specified metal e.g. "Cr", "Mn", "Fe", "Co", or "Ni" -dataframe=argv[1] -metal = argv[2] -prop = argv[3] -mode = argv[4] +different modes basend on the feature set +F_TM: ["elem_nr", "m_ox", "d_elec"] +F_CE: ["CN", "geom_nr", "rel_m"] +F_TM+CE: ["elem_nr", "m_ox", "d_elec", "CN", "geom_nr", "rel_m"] +read dataframe from property_2063.txt + +predict spin_multiplicity +""" + +metal = argv[1] +mode = argv[2] + +dataframe="property_2063.txt" +prop = "spin_multiplicity" print("Sklearn version:", sklearn.__version__) -df = pd.read_csv(dataframe, delimiter=",") +df = pd.read_csv(dataframe, delimiter="\t") print("the length of dataframe", len(df)) print(df.columns) @@ -43,10 +56,16 @@ print("the length of", metal, len(df)) -if prop == "spin_multiplicity" or prop == "spin" or prop == "s" : - # extract = ["elem_nr", "m_ox", "d_elec"] # F_TM - # extract = ["CN", "geom_nr", "rel_m"] # F_CE - extract = ["elem_nr", "m_ox", "d_elec", "CN", "geom_nr", "rel_m"] # F_TM+CE +if prop == "spin_multiplicity": + if mode == "F_TM": + extract = ["elem_nr", "m_ox", "d_elec"] + elif mode == "F_CE": + extract = ["CN", "geom_nr", "rel_m"] + elif mode == "F_TM+CE": + extract = ["elem_nr", "m_ox", "d_elec", "CN", "geom_nr", "rel_m"] + else: + print("No such mode in the database") + exit() elif prop == "m_ox": extract = ["elem_nr", "CN", "geom_nr", "rel_m"] else : @@ -175,5 +194,4 @@ filename = "{}_{}_{}.pkl".format(metal, prop, len(df)) learner = learner = rf_random.best_estimator_.fit(X, Y) pickle.dump(learner, open(filename, "wb")) -print("feature importance", learner.feature_importances_) - +print("feature importance", learner.feature_importances_) \ No newline at end of file diff --git a/cell2mol/total_spin_3131.pkl b/cell2mol/total_spin_3131.pkl deleted file mode 100644 index 2ec8b691..00000000 Binary files a/cell2mol/total_spin_3131.pkl and /dev/null differ