In [9]:
from __future__ import division, print_function
# import pandas as pd
import numpy as np
import matplotlib.pyplot as plt
from pymatgen.core import Element, Composition
%matplotlib inline
In [4]:
import csv
with open("../../ICSD/icsd-ternaries.csv", "r") as f:
csv_reader = csv.reader(f, dialect = csv.excel_tab)
data = [line for line in csv_reader]
formulas = [line[2] for line in data]
compositions = [Composition(f) for f in formulas]
In [5]:
# How many ternaries have been assigned a structure type?
structure_types = [line[3] for line in data if line[3] is not '']
unique_structure_types = set(structure_types)
print("There are {} ICSD ternaries entries.".format(len(data)))
print("Structure types are assigned for {} entries.".format(len(structure_types)))
print("There are {} unique structure types.".format(len(unique_structure_types)))
There are 68064 ICSD ternaries entries.
Structure types are assigned for 59117 entries.
There are 4201 unique structure types.
Filter for stoichiometric compounds only:
In [6]:
def is_stoichiometric(composition):
return np.all(np.mod(composition.values(), 1) == 0)
In [7]:
stoichiometric_compositions = [c for c in compositions if is_stoichiometric(c)]
print("Number of stoichiometric compositions: {}".format(len(stoichiometric_compositions)))
ternaries = set(c.formula for c in stoichiometric_compositions)
print("Number of unique stoichiometric compositions: {}".format(len(ternaries)))
Number of stoichiometric compositions: 49893
Number of unique stoichiometric compositions: 26255
In [10]:
data_stoichiometric = [x for x in data if is_stoichiometric(Composition(x[2]))]
In [11]:
from collections import Counter
struct_type_freq = Counter(x[3] for x in data_stoichiometric if x[3] is not '')
In [15]:
plt.loglog(range(1, len(struct_type_freq)+1),
sorted(struct_type_freq.values(), reverse = True), 'o')
plt.xlabel("Structure Type")
plt.ylabel("Structure Type Frequency")
plt.title("Distribution of Frequencies of Structure Types")
Out[15]:
<matplotlib.text.Text at 0x1160cfd90>
In [55]:
sorted(struct_type_freq.items(), key = lambda x: x[1], reverse = True)
Out[55]:
[('ThCr2Si2', 1740),
('Spinel-Al2MgO4', 1529),
('Perovskite-GdFeO3', 1079),
('TiNiSi-MgSrSi', 861),
('Perovskite-CaTiO3', 852),
('ZrNiAl-Fe2P', 792),
('Heusler-AlCu2Mn', 627),
('Mn12Th', 601),
('PbClF/Cu2Sb', 581),
('Delafossite-NaCrS2', 455),
('NaCl', 427),
('Chalcopyrite-CuFeS2', 373),
('Pyrochlore-NaCa(Nb2O6)F', 369),
('Laves(2H)-MgZn2', 327),
('Heusler(alloy)-AlLiSi', 322),
('Zircon-ZrSiO4', 274),
('BaCuSn2-CeNi(1-x)Si2', 265),
('CaCu5', 254),
('Laves(cub)-Cu2Mg', 251),
('CaFe2O4', 250),
('Fe14Nd2B', 244),
('Calcite-CaCO3(hR10)', 237),
('K4Si23', 231),
('Si2U3', 230),
('La2O3', 229),
('Th3P4', 228),
('ZrBeSi', 222),
('Be2CaGe2', 212),
('Scheelite-CaWO4', 211),
('Perovskite-NdAlO3', 203),
('Olivine-Mg2SiO4', 203),
('K2PtCl6', 201),
('AuBe5', 196),
('Mn23Th6', 188),
('Brucite-Mg(OH)2', 184),
('Pr3Rh4Sn13', 178),
('K2MgF4', 177),
('LiNbO3', 164),
('Fe6Ge6Mg', 160),
('Th2Zn17', 160),
('Mo6PbS8', 156),
('LiGaGe', 144),
('Th2Zn17-filled', 139),
('Ilmenite-FeTiO3', 138),
('Ga4Ti5', 137),
('ZrCuSiAs-CuHfSi2', 136),
('CuHg2Ti', 134),
('Berlinite-AlPO4', 128),
('Zr2Fe12P7', 123),
('Cu4Zr3Si4', 123),
('AlCr2C', 122),
('BaNiSn3', 122),
('Barite-BaSO4', 120),
('FeSmB4-CrYB4', 120),
('Carbide(eta)-Fe3W3C', 119),
('Co3GdB2', 119),
('BaNiO3', 115),
('U3S5', 115),
('CeCu2', 113),
('LaFe4P12', 113),
('Carbide(tau)-Cr23C6', 111),
('CrNb2Se4-Cr3S4', 111),
('BaZn2P2', 107),
('Al2CdS4', 103),
('Cs2CuCl4', 101),
('Ni17Th2', 100),
('Al2CuMg', 98),
('Pseudobrookite-Fe2TiO5', 94),
('Perovskite-PbTiO3', 93),
('Aragonite-CaCO3(oP20)', 92),
('Co11Ga3La5', 89),
('Wolframite-NiWO4', 89),
('CaIn2', 86),
('Monazite-CePO4(mP)', 85),
('La2Sb', 84),
('Ni17Th2-filled', 83),
('Re7U4Si6', 83),
('Garnet-Al2Ca3Si3O12', 82),
('Y5S7', 82),
('Cu2Mg-filled-frame-', 82),
('Perovskite-SrTiO3-Cr3AsN', 80),
('YNbO4(mS24)', 77),
('Co3U2Si5', 77),
('Sphalerite-ZnS(cF8)', 77),
('K2SO4(beta)', 77),
('Mn5Si3', 75),
('Pyroxene-CaIrO3', 75),
('Pyrite-FeS2(cP12)', 74),
('NH4CdCl3/Sn2S3', 71),
('Al18Cr2Mg3', 71),
('CeNiC2', 70),
('LuMnO3', 70),
('Al11La3', 70),
('CeCo4B', 68),
('NaFeO2(beta)', 67),
('LiSbF6', 67),
('Ni3Pb2S2', 67),
('Al4NiY', 66),
('La2CuO4', 64),
('Co4Sc5Si10', 62),
('Ba5Sb4-Sm5Ge4', 62),
('CoHoGa5', 61),
('Fe3Sc2Si5', 61),
('Fe3TlTe3', 60),
('ZnSb2O6', 58),
('MnTiSi2', 57),
('Fe4Si2Zr', 57),
('La3NbO7(oS)', 57),
('Ca14MnAs11', 56),
('Ga5Ho2Ni5', 55),
('K4CdCl6', 55),
('HoNi3Hx-frame', 54),
('Cu2ErS2', 53),
('CdMn2O4', 53),
('ErPd2Si', 53),
('Nd2CuO4', 53),
('InSn2I5', 53),
('CrVO4', 52),
('Au3Sb4Y3', 52),
('Fluorite-CaF2', 52),
('Eu4Ga8Ge15', 51),
('Cr5BSi3', 51),
('CuLaS2', 50),
('Perovskite-PbZrO3', 49),
('AlB2', 49),
('Ce2Ni17Si9', 49),
('Cr3Si', 49),
('Sc2Si2O7', 49),
('Hf9Mo4B/Al5Co2', 48),
('InMg2', 48),
('InNi2', 48),
('FeOCl', 48),
('Perovskite-Ba2LaRuO6', 48),
('NiSSb', 47),
('TiAs', 47),
('ReY2B6', 47),
('AlOOH(Diaspore)', 46),
('Perovskite-Na3AlF6', 46),
('Pyroxene-MgSiO3', 46),
('Pd5TlAs', 45),
('Dy4CoCd', 44),
('Co4NdB4', 44),
('Pr7O12', 43),
('BaFeO2+x', 43),
('Th2TeN2', 43),
('FeBiO3', 43),
('Tl3AsS4', 43),
('ThSi2', 43),
('Ni12SrB6', 42),
('Nickeline-NiAs', 42),
('PbCl2', 42),
('Cs3CoCl5', 42),
('K2MnS2', 42),
('CeAsS', 41),
('Hf3Ni2Si3', 41),
('CeNi3', 41),
('SmNiSb', 41),
('Cr5CsS8', 41),
('NaZn13', 41),
('Minium-Pb3O4', 41),
('Pyroxene-CaMg(SiO3)2', 41),
('CeMn6Ni5', 41),
('Al2Zr3(tP20)', 40),
('Cu3VS4', 40),
('TlxNb6Se8', 39),
('Sillenite-Bi12SiO20', 39),
('Cs3Cr2Cl9', 39),
('CeCo4B4', 39),
('Ho6Mo4Al43', 38),
('Ce3Ni6Si2', 38),
('DyMn2O5', 38),
('Perovskite-BaTiO3(tet)', 38),
('K2GeF6', 38),
('NaLa6OsI12', 38),
('BaCuF4', 38),
('Ca11InSb9', 38),
('UCl3', 37),
('CaAl12O19', 37),
('CoGa8Ho2', 37),
('InTe-Tl2Se2', 37),
('GaMo4S8(HT)', 37),
('Cr5B3', 37),
('Eu2CuS3', 36),
('Rutile-TiO2', 36),
('CuCrSe2-AgCrSe2(R3m)', 36),
('IrYGe2', 36),
('AgFeO2', 36),
('Si2N2O', 35),
('Ce3Co11B4', 35),
('Bixbyite-Mn2O3', 35),
('Be2SiO4', 34),
('FeSiTi', 34),
('Co3Lu2Si5', 34),
('Perovskite-ScYS3', 34),
('K6HgS4', 33),
('MoUC2', 33),
('CoZr2Si2', 33),
('Al8CaCo2', 33),
('NaHS-HT', 33),
('BaPtSb', 33),
('Co4Hf2P3', 33),
('K2Pb(SO4)2', 33),
('Cu2HgI4', 32),
('Cs3Tl2Cl9', 32),
('La3CuSiS7', 32),
('Perovskite-BaPbO3', 32),
('Bi2Te3', 32),
('Mn2ZrHx-frame', 32),
('KInS2', 32),
('Na2HgO2', 32),
('MnP', 32),
('In5Bi3', 31),
('Ti3C2Si', 31),
('ReY3B7', 31),
('FeAsS-CoSb2', 31),
('PbPS3', 31),
('KAlO2', 31),
('FePS3', 30),
('BaGe2Se4', 30),
('Co2GaGd6', 30),
('K2WSe4', 30),
('LaPtSi', 30),
('Tm2S3', 30),
('CoNb3S6', 29),
('Na2Re3S6', 29),
('NdOF', 29),
('Elpasolite-K2NaAlF6', 29),
('CaSO4', 29),
('AgErSe2', 29),
('Li2ZrF6', 29),
('SmSI', 29),
('Nd3Ni13B2', 29),
('Y6RuI10', 28),
('Cr2Ho2C3', 28),
('CsCu2Cl3', 28),
('LuRu4B4', 28),
('YPtAs', 28),
('Al2(WO4)3', 28),
('Na2CO3(HT)', 28),
('Na2SiO3', 28),
('ZrSSi', 28),
('Na3AsS3', 28),
('Li2SnO3', 28),
('CrU8S17', 28),
('Ca2SiO4', 28),
('Co5YP3', 27),
('Al2SiO5-Andalusite', 27),
('LaIrSi', 27),
('Al2Mo3C', 27),
('KFeS2', 27),
('ErIr3B2', 27),
('BaSiF6', 27),
('MnPSe3', 27),
('Wurtzite-ZnS(2H)', 26),
('Al2Cu', 26),
('PrPS4', 26),
('Sr3Ti2O7', 26),
('Y2TiO5', 26),
('Cs2Au2Cl6', 26),
('BaNiS2', 26),
('LuRuB2', 26),
('PrOI', 26),
('AlFe2B2', 26),
('CuGeO3', 26),
('Na2SO4', 26),
('Co4Ge7Zr4', 26),
('KOsF6', 26),
('K2Cr2O7', 26),
('Ce4Ho11S22', 25),
('U2Mo3Si4', 25),
('SbPO4', 25),
('ZrP2O7', 25),
('Fluorite-CaF2(defect)', 25),
('InPt2Gd', 25),
('NiTi2', 25),
('CaV3O7', 25),
('Ni20Ho6P13', 25),
('K2RbC60', 25),
('Co3Tb4B6', 25),
('NaNbO3(mP5)', 24),
('Ca2AlFeO5(oI)', 24),
('Be3Nb', 24),
('Li2B4O7', 24),
('Al4Mo2Yb', 24),
('Nd2Te4O11', 24),
('Ho2Rh12As7', 24),
('Al2SiO5-Sillimanite', 24),
('KCuF3(tI20)', 24),
('Eu2Zr2O7', 24),
('SrGaSn', 24),
('NaV6O11', 23),
('Ga21Ho4Ni10', 23),
('Mo5Si3', 23),
('FeB', 23),
('V6Si5', 23),
('Kyanite', 23),
('YTaO4', 23),
('Ba(OH)2', 23),
('CrOOH(R3-m)', 23),
('LiFeO2-alpha', 23),
('RbNiCrF6', 23),
('AlOOH(oS16)', 23),
('Hf5Rh2In4', 22),
('MgNb2O6', 22),
('Na2MnCl4', 22),
('Zn(CN)2(disordered)', 22),
('Bi2Pb2Se5', 22),
('Cs2Zn3S4', 22),
('NaNO2', 22),
('AlCe', 22),
('K2ZnBr4', 22),
('Ce2Co7B3', 22),
('Enargite-Cu3AsS4', 22),
('DyB2C2', 22),
('KZnAs', 21),
('LiIO3', 21),
('Mg2Ga', 21),
('LiTiS2', 21),
('Proustite', 21),
('In2ZnS4(hR7)', 21),
('Bi2Al4O9', 21),
('CaLiSi2', 21),
('K2PtCl4', 21),
('NaNiO2(mS8)', 21),
('NaClO3', 21),
('ScUS3', 21),
('LaB2C2', 21),
('BiMnO3', 20),
('Pd3US4', 20),
('Co3Ga9Y2', 20),
('Brownmillerite-Ca2AlFeO5(oP)', 20),
('Ag8SiTe6', 20),
('Ca2Mn2O5', 20),
('Ca2MnO4', 20),
('Mo1+xMo6S8', 20),
('Mn23Th6-filled', 20),
('Tl3VS4', 20),
('Mn2GeO4', 20),
('CuSO4', 20),
('EuGa2S4', 19),
('CaC2', 19),
('NaTl', 19),
('ZnS(defect)-Cu2HgI4(HT)', 19),
('Mg2NiH4', 19),
('Cu2Sc2O5', 19),
('CsCl', 19),
('NaHS', 19),
('DyNi4Si', 19),
('CuInPt2', 19),
('KBrF4', 19),
('Auricupride-AuCu3', 19),
('Zr5Si4', 19),
('Eu4Ga8Ge16', 19),
('Perovskite-NaNbO3(tP10)', 19),
('GeSb2Te4', 19),
('Sr(NO3)2', 19),
('Rh3ScSi7', 19),
('Er3GaS6', 19),
('CsClO4', 19),
('NdTaO4', 19),
('KClO3', 19),
('BPO4', 19),
('La4Ge3S12', 19),
('CrOOH(oP8)', 19),
('RbNO3', 18),
('CoNb4Si', 18),
('Na2SiF6', 18),
('ZnMoO4', 18),
('Er4NiB13', 18),
('Ba2MnS3', 18),
('Y3TaO7', 18),
('MgSeO3', 18),
('MnNb4S8', 18),
('Sr4Mn3O10', 18),
('Cu4KS3', 18),
('Al10Fe2Yb', 18),
('Ba4OCl6', 18),
('Au3K2', 18),
('Hf2Ni3Si4', 18),
('In2Mo15Se19', 18),
('CsPrS2', 18),
('Cd4GeS6', 18),
('Ti4AlN3', 18),
('Gd5Si2Ge2', 18),
('Perovskite-NaNbO3', 18),
('Bi(IO3)3', 18),
('BaCd11', 18),
('Sn2F6', 18),
('La11Ni4In9', 18),
('AgBiSe2', 17),
('Perovskite-NaTaO3', 17),
('Rh(PO3)3', 17),
('LiCuO(I4-2m)', 17),
('TlI', 17),
('AlFeO3', 17),
('Pb3(PO4)2', 17),
('Na3As', 17),
('CoGa3Pr8', 17),
('YbV4O8(mP52)', 16),
('Bi4(SiO4)3', 16),
('Pyroxene-MgSiO3-LT', 16),
('Eu2(WO4)3', 16),
('Fe6Ga6Sc', 16),
('Ho11Ge10', 16),
('Mg3TeO6', 16),
('Ba4SiAs4', 16),
('Co19Zr5P12', 16),
('ScU3S6', 16),
('La3InS6', 16),
('NiAs2', 16),
('Li3LaSb2', 16),
('Zr3PbO4F6', 16),
('LaMo5O8', 16),
('Er2RhSi3(P6-2c)', 16),
('SrZrS3', 16),
('Ca2RuO4', 16),
('Ca2P2O7(beta)', 16),
('K5Sb3Sn', 16),
('NH3BH3', 16),
('NdRh2Sn4', 16),
('Lavenite', 16),
('CdI2', 15),
('Ce3Pt23Si11', 15),
('FeF3', 15),
('InOOH', 15),
('CeRu2B2', 15),
('BaRuO3', 15),
('Ca3PI3', 15),
('LiMnO2', 15),
('Sb2S3', 15),
('LiMnAs', 15),
('ThMoB4', 15),
('Na5ReO6', 15),
('Al5(BO3)O6', 15),
('K2ZnCl4', 15),
('CaRh2B2', 15),
('Co3HoP2', 15),
('Baddeleyite-ZrO2(mP12)', 15),
('Yb3S4', 15),
('Nolanite', 15),
('AlMgB14', 15),
('Co2InTb', 15),
('Ca3Ru2O7', 15),
('BaMo6S8', 15),
('Na4SiO4', 15),
('Stannite-Cu2FeSnS4', 15),
('UAsTe', 15),
('NaV(SO4)2', 15),
('Hg3S2Cl2', 15),
('Pr10S14O', 15),
('Na1.55Si17', 15),
('Bi2CuO4', 15),
('MnSiO3(aP50)', 15),
('Na4Sn3O8', 15),
('Ca3Ge2As4', 15),
('BaTi2Fe4O11', 15),
('Cr3C2', 14),
('NaPdC2', 14),
('Ce2CuGe6', 14),
('CaSiO3(HP)', 14),
('Dy3Ni7B2', 14),
('CaV2O5', 14),
('CuBiS2', 14),
('YAlGe', 14),
('Fe2BO3O', 14),
('CeNiSb3', 14),
('K2PdP2', 14),
('Er2RhSi3', 14),
('SrB4O7', 14),
('Gd2SiO5', 14),
('FeU2S5', 14),
('LaCoAl4', 14),
('Perovskite-BaTiO3(orh)', 14),
('YBO3', 14),
('BaCu2S2', 14),
('Ag3PO4', 14),
('LiBH4', 14),
('NiSmGe3', 14),
('CrUS3', 14),
('Cr11Ge8', 14),
('Mg6MnO8', 14),
('La2SnS5', 14),
('Mg3(PO4)2', 14),
('Zr(MoO4)2(HT)', 14),
('VOSO4-alpha', 14),
('Rh2Y3Si2', 14),
('ErPtF7', 14),
('Ho5Au2Sb', 14),
('LaNi5Hx-frame', 14),
('In5Nd4S13', 14),
('MoNiP2', 14),
('CeCoC2', 14),
('LiYSn', 14),
('Sr2AlFeO5', 13),
('LuFe2O4', 13),
('CaGe2O5', 13),
('Ca5Ga2As6', 13),
('Os3(CO)12', 13),
('Sr2CuO3', 13),
('NdTe3', 13),
('NiTiO3', 13),
('Perovskite-BaBiO3(mS20)', 13),
('Ni5YSi3', 13),
('K3CrO8', 13),
('Ag3CsS2', 13),
('Na2Ti6O13', 13),
('Al3ScC3', 13),
('Ag5Te2Cl', 13),
('CeCu6', 13),
('AlPO4(C2221)', 13),
('LiCo6P4', 13),
('Kotoite', 13),
('FeYb2S4', 13),
('Sr2IrO4', 13),
('GdPS', 13),
('Zn(OH)2', 13),
('Yb3Sb5O12', 13),
('KOH', 13),
('AlCoPr2', 13),
('AgDyTe2', 13),
('In5S4', 13),
('Marcasite-FeS2(oP6)', 13),
('CaCrF5', 13),
('Ca2Sb2O7', 13),
('Rb2CuCl4', 13),
('TlPb2Cl5', 13),
('PtGeSe', 13),
('NaAlCl4', 12),
('Ag2NiO2', 12),
('Na4UO5', 12),
('Al2Sr3P4', 12),
('BaSO4(HT)', 12),
('CoMo2S4', 12),
('ErNiB4', 12),
('LuNiSn2', 12),
('Na2SnF6', 12),
('CoMoO4', 12),
('Yb5Sb3', 12),
('CoYC(tP6)', 12),
('Ce(SO4)2', 12),
('Cementite-Fe3C', 12),
('Ge2LaPt2', 12),
('La6Ni6P17', 12),
('La23Ni7Mg4', 12),
('Ce2Ni22C3', 12),
('NdNiGa2', 12),
('Ni60Yb11C6', 12),
('LiAlCl4', 12),
('CoGdGa', 12),
('CuSmP2', 12),
('TlSbS2', 12),
('SrV3O7', 12),
('CdIn2Se4', 12),
('CeNi5Sn', 12),
('Y2ReC2', 12),
('CeTmS3', 12),
('Protoenstatite', 12),
('CeNi12B6', 12),
('LiNH2', 12),
('CrSi2', 12),
('Ce2CuGa12', 12),
('YOOH', 12),
('NaOH', 12),
('La6MnSi2S14', 12),
('DyFe4Ge2', 12),
('K3SiF7', 12),
('K2PtS2', 12),
('K2NbF7', 12),
('K2CO3', 12),
('(Mn,Fe)2PO4F', 12),
('Ir3Ge7', 12),
('Cs2BeF4', 12),
('Ni3V2O8', 12),
('K2Pd3S4', 11),
('Li4CO4(Cm1)', 11),
('Nd2WO6(mS72)', 11),
('Fe2(SO4)3', 11),
('SbSI', 11),
('Co5Cr2Mo3', 11),
('UBC', 11),
('BaMnO3', 11),
('Rb3PdF5', 11),
('Mn7SiO12', 11),
('Nd(BO2)3', 11),
('Co5USi3', 11),
('Mo3Se4', 11),
('Na2CrO4', 11),
('CoW2B2', 11),
('Zn4B6O13', 11),
('Cs3Tb7Te12', 11),
('KNiCl3', 11),
('Tm4Zn5Ge6', 11),
('TbB2C', 11),
('CrEr2S4', 11),
('Sc3FeC4', 11),
('K2Al2Sb3', 11),
('BaUO4', 11),
('CrUO4', 11),
('LaNi4AlH4-frame', 11),
('Ce3Ni2-xSn7-y', 11),
('Fe4Y2Si9', 11),
('Ga41V8', 11),
('Na2ThF6', 11),
('Na3IrH6', 11),
('(Cu,Zn)WO4', 11),
('NaCl(defect)-VC.75', 11),
('Al2(SO4)3', 11),
('Ni4U3Si4', 11),
('(Ca8)xCa2', 11),
('Tl4HgBr6', 11),
('Ag4K2S3', 11),
('Sr4Fe4O11', 11),
('LaNiO2', 11),
('Ce3NiSi3', 10),
('PbO2-alpha', 10),
('Be3N2', 10),
('ZnSe2O5', 10),
('LiCuO', 10),
('K2SnCl6', 10),
('Eu3Sb4S9', 10),
('Dy12Mn5C15', 10),
('Mn23Y6Hx-frame', 10),
('NPBr2', 10),
('Er4Ni13C4', 10),
('KBO2', 10),
('Cu4NaAs2', 10),
('Fe3(PO4)2(mP26)', 10),
('Li2PdO2', 10),
('KAlF4', 10),
('Na3Pt4Ge4', 10),
('Li4CO4(C2)', 10),
('Al3Ti', 10),
('Ce2CrN3', 10),
('TbP5O14', 10),
('KYbSiS4', 10),
('SnTaS2', 10),
('K3AlSe3', 10),
('CuFe2S3', 10),
('Li8IrO6', 10),
('CsIO4', 10),
('Tb(BO2)3', 10),
('HoCuAl3', 10),
('Dy2Ni2Al', 10),
('Al9Co2Sr', 10),
('HgPbP14', 10),
('K6W2O3N4', 10),
('AlAu4', 10),
('BiB3O6', 10),
('Tilasite', 10),
('HgMoO4', 10),
('Ag8GeS6', 10),
('Ho2Ni15B9', 10),
('Pb2OSO4', 10),
('Co9S8', 10),
('Ag7NbS6', 10),
('Ca3AsN', 10),
('Ba4Y3F17', 10),
('Li5Mo9S12', 10),
('K2SO4(alpha)', 10),
('HoPdGe', 10),
('PbSnF4', 10),
('KV3O8', 10),
('Ba7Cl2F12', 9),
('Sm3NS3', 9),
('Al5C3N', 9),
('Ce2Li2Ge3', 9),
('Spinel-LiFe5O8', 9),
('Sm6Co2Si3/Co3Ho4', 9),
('Cu2P2O7', 9),
('Ag16Ca6N', 9),
('NaN3(beta)', 9),
('Er2Ge2O7', 9),
('H2SO4(H2O)4', 9),
('Ho4Mo4O11', 9),
('SiTa4Te4', 9),
('Nb2Co4O9', 9),
('Li7PN4', 9),
('RbAuS', 9),
('ThB2C', 9),
('Er2Ni3B6', 9),
('KRu4O8', 9),
('Ho2Ni10B5', 9),
('K6Fe2O6', 9),
('Mn2SnS4', 9),
('AlPO4(HT)', 9),
('Na5FeO4', 9),
('AuCaGe', 9),
('Sr2IrH5', 9),
('LiPr2Ge6', 9),
('Al3Y2Si2', 9),
('Gd2(MoO4)3(oP68)', 9),
('Lu3Co8Sn4', 9),
('CaMn7O12', 9),
('Al5Ni2Zr', 9),
('GaMo4S8', 9),
('In(OH)3', 9),
('NaBiO2', 9),
('Ag2SeO3', 9),
('Y3Co2', 9),
('K2MnF6', 9),
('Lu2Te5O13', 9),
('K4Ti3S14', 9),
('Eu6Rh30As19', 9),
('Au4KSn2', 9),
('Li2PbO3', 9),
('KTh2Se6', 9),
('NdYbS3', 9),
('TiMn2O4', 9),
('SrLaI4', 9),
('K4BeP2', 9),
('Ti2CuSb3', 9),
('K2B12H12', 9),
('Mo6Ni6C', 9),
('CeRhAl', 9),
('Pb3O2Cl2', 9),
('Cu2GeS3', 9),
('AuEuGe', 9),
('NH3BH3(I4mm)', 9),
('NdCu2O4-x', 9),
('YPdSi', 9),
('Tl2Ge2S5', 9),
('CeSe2O6', 9),
('KAlF4(tP12)', 9),
('CsCrBr3', 9),
('ThTi2O6', 9),
('Er2FeC4', 9),
('Yb2S2O', 9),
('CsNbN2', 9),
('Co11Ga6Sm26', 9),
('In3Mo15Se19', 9),
('GeS', 9),
('LiAlH4', 9),
('Co2Si', 9),
('U2O(PO4)2', 9),
('CePt2B', 9),
('PrAuAs2', 9),
('Zr(WO4)2', 9),
('Nb5Cu4Si4', 9),
('CaAl4O7', 9),
('K2ZrF6(C2/c)', 9),
('Sm3RuO7', 9),
('PbMo6Cl14', 9),
('SrFe2As2', 9),
('Al2S3', 9),
('Ludwigite', 9),
('HoFe6Sn6', 8),
('Cr(CO)6', 8),
('Al2Ca3Ge2', 8),
('FeAsO4', 8),
('BiZr3F15', 8),
('Na4CO4', 8),
('Pr2Si2O7', 8),
('Co7Gd2', 8),
('Ba2ZnO3', 8),
('AgYbS2', 8),
('SnWO4(oP24)', 8),
('NiCr2O4', 8),
('Cs3Bi2Br9', 8),
('Pb2Sb2S5', 8),
('CaSiO3(cI40)', 8),
('YbP5O14', 8),
('LiAlO2-gamma', 8),
('Co2B2O5', 8),
('SrCuO2', 8),
('YbV4O8', 8),
('AgSbO3', 8),
('Tl4Ge2S6', 8),
('La2SbO2', 8),
('Fe4LuGe2', 8),
('Th11Ru12C18', 8),
('Zr(MoO4)2', 8),
('Dy2Te', 8),
('FePO4', 8),
('SrSiO3', 8),
('LaPd2O4', 8),
('Zn3P2', 8),
('Ba3Yb4O9', 8),
('Li2MnO3', 8),
('SrO2(H2O)8', 8),
('CaB2O4', 8),
('Co7Ho6Ga21', 8),
('U4S3', 8),
('Ta2S2C', 8),
('Ce3B2N4', 8),
('Na3Fe2S4', 8),
('Spinel-Al2MgO4, reduced symmetry', 8),
('VO2(HT)', 8),
('LiMnSe2', 8),
('Re2(CO)10', 8),
('Rb2PtO4', 8),
('K3AuGe4', 8),
('BaV10O15', 8),
('CaIn2Te4', 8),
('CaGa2O4-LT', 8),
('Co40Ta13Si31', 8),
('K9Fe2S7', 8),
('TmRuGa3', 8),
('SrZnO2', 8),
('CsCuCl3', 8),
('Ce4MnSn7', 8),
('CaSiO3(tP40)', 8),
('Mn2Sb2O7', 8),
('Ca3InP3', 8),
('La2Ir3Sb4', 8),
('Zr3NiSb7', 8),
('Fe3(PO4)2(mP52)', 8),
('PrMn7O12', 8),
('S7NH', 8),
('Ag7PSe4Se2', 8),
('KCoO2(tP16)', 8),
('TbFe6Sn6', 8),
('K2SnCl6(LT)', 8),
('TaIrTe2', 8),
('FeZr6Cl14', 8),
('Ga2Gd3', 8),
('Ni3Bi2Se2', 8),
('CsHS', 8),
('La2SrCu2O6', 8),
('ZrSi2', 8),
('Hg(CN)2', 8),
('Gd2Fe2I', 8),
('CaSiO3(tI40)', 8),
('Cs4PbO4', 8),
('CsGdTe4', 8),
('Er3Ru4Si12', 8),
('Ni(N(CN)2)2', 8),
('Bi4Ti3O12', 8),
('Nd2WO6(oP36)', 8),
('Fe3Th7', 8),
('LiTiO2', 8),
('PbWO4(mP48)', 8),
('K2Mo9S11', 7),
('LiOHH2O', 7),
('KIO3', 7),
('Nd3Co3Ga', 7),
('K4Nb6Cl18', 7),
('Ca(BH4)2(tP22)', 7),
('Ho10In20Ni9', 7),
('Ca(BH4)2', 7),
('BaSi2', 7),
('Li8Al3Si5', 7),
('KHF2', 7),
('La2NiO4', 7),
('CuMoF6', 7),
('Ba2Nb5O9', 7),
('RbCuC2', 7),
('K2Cd3S4', 7),
('Rb4Re6S13', 7),
('CrB', 7),
('Perovskite-PbTiO3(Pmmm)', 7),
('Zn4Ta2O9', 7),
('TlAsS2', 7),
('BaAl2O4', 7),
('RbNO3(oP10)', 7),
('KMnF4', 7),
('Ag8SiS6', 7),
('LiMn2O4', 7),
('BaThF6', 7),
('TaN', 7),
('La2Ni5B4', 7),
('Hg2P3Cl', 7),
('Tb3Fe5O12', 7),
('Ni3TeO6', 7),
('CoYC(tP3)', 7),
('Al3Zr2C4', 7),
('V(PO3)3', 7),
('Al(OH)3(gibbsite)', 7),
('K3Na(SO4)2', 7),
('Yb(ReO4)3', 7),
('Am(IO3)3', 7),
('Zn2Te3O8', 7),
('K2UF6', 7),
('Sr3Al2Ge4', 7),
('V2Zr3Ga4', 7),
('CeSiP3', 7),
('Co(AlCl4)2', 7),
('Ag3AuTe2', 7),
('NH4NO3(IV)', 7),
('CaMn2O4', 7),
('Cu8Rb3Se6', 7),
('Ni2TbB2', 7),
('NaBH4', 7),
('Gd2C2Br2', 7),
('GePbS3', 7),
('Li4TeO5', 7),
('CaUO4', 7),
('(Ce,Zr)O2', 7),
('CaB2O4(HP)', 7),
('Rh3Y2Sn5', 7),
('Perovskite-PbVO3', 7),
('Zr2NiAs2', 7),
('LiB3O5', 7),
('La12I17(C2)3', 7),
('Cs6Ga2P4', 7),
('SCl3AlCl4', 7),
('MgB4O7', 7),
('Ni3SnP', 7),
('RbBSe3', 7),
('Ba3AlSb3', 7),
('CH5N3', 7),
('AgCN', 7),
('Nb2Se3', 7),
('AlFe(MoO4)3', 7),
('CoUC2', 7),
('Rb8Fe2O7', 7),
('Sm2F(AuF4)5', 7),
('CsTaN2', 7),
('NiZr2Hx-frame', 7),
('TlFeS2', 7),
('Na3FeS3', 7),
('Al5PrNi2', 7),
('K2MoO4', 7),
('PbU2Se5', 7),
('CaGaN', 7),
('Cu2TiTe3', 7),
('Sm4Co3Ga16', 7),
('Gd3MnI3', 7),
('Ca9Zn4Bi9', 7),
('Tl5Se2I', 7),
('Co2P2O7', 7),
('Mg2SiO4(oI56)', 7),
('Sr21Cd4Bi18', 7),
('(O2)PtF6', 7),
('Mg2NiH4(C2/c)', 7),
('PrAgAs2', 7),
('CuYS2', 7),
('CdGeO3', 7),
('(COOH)2(H2O)2', 7),
('AlPO4(cF24)', 7),
('CdSO4', 7),
('Eu(N(CN)2)3', 7),
('AuCN', 7),
('MnP4O11', 7),
('Perovskite-Sr2CoRuO6', 7),
('ErRh3Si2', 7),
('Ta2Pt3Se8', 7),
('Ho2S2Te', 7),
('Cs2Pt3S4', 7),
('Sr2Ga2S5', 7),
('SrNi4Sn2', 7),
('Zr(MoO4)2(hP11)', 7),
('KCuO2', 7),
('Ni2SiP', 7),
('K3FeO2', 6),
('Ce2AlGe2(Ge,Al)4', 6),
('Zr2P2O9', 6),
('CeTa7O19', 6),
('ZnB4O7', 6),
('Ba(OH)2H2O', 6),
('Pb(PO3)2', 6),
('K4Nb2S11', 6),
('Laves(4H)-MgNi2', 6),
('Ba5Ta4O15', 6),
('KCd4As3', 6),
('NH4F', 6),
('RhTe6Cl3', 6),
('MnTb2S4', 6),
('Cs5SiP3', 6),
('YNiSi3', 6),
('NaCu2O2', 6),
('Fe2Ta9S6', 6),
('Cd6Sr11Sb12', 6),
('Tl3AsSe3', 6),
('K2SnO3', 6),
('SrNi5P3', 6),
('Al2CuCl8', 6),
('Al9Na4Ge14', 6),
('ReBiO4', 6),
('SrAl2O4', 6),
('Pr3MoO7', 6),
('RbCr3S5', 6),
('Auricupride-AuCu3-filled', 6),
('(SeCl3)2ReCl6', 6),
('Sr2Zn2As3', 6),
('Fe(IO3)3', 6),
('Li5GaO4-alpha', 6),
('Y5Mo2O12', 6),
('Li3In2(PO4)3', 6),
('KCuO', 6),
('Cu2FeS2', 6),
('Rb2TiO3', 6),
('Na2Ta4O11', 6),
('ErMn2H2', 6),
('AgNb3S4', 6),
('MgV2O5', 6),
('CeLi2Ge', 6),
('Sr3SiO5', 6),
('Co5Ti3B2', 6),
('Rb3Mn2Cl7', 6),
('Cs9GaO4', 6),
('KVO3', 6),
('Rh2Y3', 6),
('Whitlockite', 6),
('Nd3NbO7', 6),
('K3NO4', 6),
('CrPS4', 6),
('Tl3PbBr5', 6),
('Skutterudite-CoAs3', 6),
('Co2Ge3S3', 6),
('Ca2CdAs2', 6),
...]
In [16]:
uniq_phases = set()
for row in data_stoichiometric:
spacegroup, formula, struct_type = row[1:4]
phase = (spacegroup, Composition(formula).formula, struct_type)
uniq_phases.add(phase)
In [18]:
uniq_struct_type_freq = Counter(x[2] for x in uniq_phases if x[2] is not '')
uniq_struct_type_freq_sorted = sorted(uniq_struct_type_freq.items(), key = lambda x: x[1], reverse = True)
In [20]:
plt.loglog(range(1, len(uniq_struct_type_freq_sorted)+1),
[x[1] for x in uniq_struct_type_freq_sorted], 'o')
plt.xlabel("Structure Type")
plt.ylabel("Structure Type Frequency")
plt.title("Distribution of Frequencies of Structure Types")
Out[20]:
<matplotlib.text.Text at 0x116aff290>
In [21]:
uniq_struct_type_freq_sorted
Out[21]:
[('ThCr2Si2', 676),
('TiNiSi-MgSrSi', 586),
('ZrNiAl-Fe2P', 511),
('Perovskite-CaTiO3', 439),
('Heusler-AlCu2Mn', 343),
('Mn12Th', 339),
('PbClF/Cu2Sb', 334),
('Perovskite-GdFeO3', 314),
('Spinel-Al2MgO4', 305),
('Delafossite-NaCrS2', 278),
('NaCl', 258),
('Laves(2H)-MgZn2', 239),
('Laves(cub)-Cu2Mg', 209),
('Th3P4', 205),
('Si2U3', 194),
('Heusler(alloy)-AlLiSi', 185),
('BaCuSn2-CeNi(1-x)Si2', 179),
('ZrBeSi', 179),
('CaCu5', 178),
('Be2CaGe2', 163),
('CaFe2O4', 158),
('Pyrochlore-NaCa(Nb2O6)F', 146),
('Mn23Th6', 142),
('La2O3', 140),
('Ga4Ti5', 131),
('Th2Zn17', 130),
('K2PtCl6', 121),
('AuBe5', 114),
('Pr3Rh4Sn13', 113),
('CuHg2Ti', 112),
('LiGaGe', 108),
('Zircon-ZrSiO4', 101),
('U3S5', 100),
('FeSmB4-CrYB4', 99),
('ZrCuSiAs-CuHfSi2', 95),
('Carbide(eta)-Fe3W3C', 94),
('CeCu2', 93),
('BaNiSn3', 90),
('Carbide(tau)-Cr23C6', 89),
('Scheelite-CaWO4', 87),
('CrNb2Se4-Cr3S4', 85),
('Zr2Fe12P7', 84),
('Ni17Th2', 83),
('Al2CuMg', 82),
('K2MgF4', 79),
('CaIn2', 76),
('Cu4Zr3Si4', 75),
('Fe6Ge6Mg', 74),
('Mo6PbS8', 74),
('Re7U4Si6', 72),
('LaFe4P12', 70),
('Th2Zn17-filled', 69),
('Pyrite-FeS2(cP12)', 65),
('Al11La3', 64),
('K4Si23', 64),
('Al18Cr2Mg3', 63),
('Co3U2Si5', 62),
('Cu2Mg-filled-frame-', 62),
('Mn5Si3', 61),
('BaNiO3', 59),
('Olivine-Mg2SiO4', 59),
('Y5S7', 59),
('Ni17Th2-filled', 58),
('Co11Ga3La5', 58),
('Barite-BaSO4', 57),
('Chalcopyrite-CuFeS2', 57),
('NH4CdCl3/Sn2S3', 57),
('LiSbF6', 56),
('Ba5Sb4-Sm5Ge4', 55),
('YNbO4(mS24)', 50),
('Cr5BSi3', 49),
('Co3GdB2', 47),
('BaZn2P2', 47),
('Hf9Mo4B/Al5Co2', 46),
('Fluorite-CaF2', 46),
('ErPd2Si', 45),
('Cs2CuCl4', 45),
('CoHoGa5', 45),
('Dy4CoCd', 44),
('Al4NiY', 44),
('InMg2', 44),
('Fe4Si2Zr', 44),
('AlCr2C', 44),
('Co4Sc5Si10', 43),
('Sphalerite-ZnS(cF8)', 43),
('Au3Sb4Y3', 43),
('K2SO4(beta)', 43),
('La2Sb', 43),
('AlB2', 42),
('ThSi2', 41),
('MnTiSi2', 41),
('ReY2B6', 40),
('Pd5TlAs', 40),
('K2MnS2', 39),
('Fe3Sc2Si5', 39),
('CeCo4B', 38),
('Cu2ErS2', 38),
('Ga5Ho2Ni5', 38),
('NaZn13', 38),
('Ho6Mo4Al43', 37),
('CeNiC2', 37),
('ZnSb2O6', 37),
('Cr3Si', 37),
('CeNi3', 36),
('TlxNb6Se8', 36),
('NaLa6OsI12', 36),
('HoNi3Hx-frame', 35),
('Ilmenite-FeTiO3', 35),
('CeAsS', 34),
('InNi2', 34),
('Cr5CsS8', 34),
('La3NbO7(oS)', 34),
('FeOCl', 34),
('Ce2Ni17Si9', 34),
('Fe14Nd2B', 33),
('K4CdCl6', 33),
('Ni3Pb2S2', 33),
('Hf3Ni2Si3', 32),
('Eu2CuS3', 32),
('Ce3Ni6Si2', 31),
('Cs3CoCl5', 31),
('CrVO4', 31),
('Nickeline-NiAs', 31),
('Th2TeN2', 31),
('FeSiTi', 31),
('CoGa8Ho2', 31),
('K2GeF6', 31),
('Al2CdS4', 30),
('Garnet-Al2Ca3Si3O12', 30),
('NiSSb', 30),
('LiNbO3', 30),
('Co3Lu2Si5', 30),
('La3CuSiS7', 30),
('Al2Zr3(tP20)', 29),
('Tl3AsS4', 29),
('BaPtSb', 29),
('CeCo4B4', 29),
('Co4Hf2P3', 29),
('Tm2S3', 29),
('CuLaS2', 28),
('SmNiSb', 28),
('Y6RuI10', 28),
('TiAs', 28),
('Cr5B3', 28),
('FeAsS-CoSb2', 28),
('Perovskite-ScYS3', 28),
('MnP', 28),
('CoZr2Si2', 27),
('Co4NdB4', 27),
('Cs3Cr2Cl9', 27),
('Wolframite-NiWO4', 27),
('CdMn2O4', 27),
('Calcite-CaCO3(hR10)', 27),
('ReY3B7', 27),
('Monazite-CePO4(mP)', 27),
('Pr7O12', 26),
('NaFeO2(beta)', 26),
('Co5YP3', 26),
('Sc2Si2O7', 26),
('BaFeO2+x', 25),
('BaGe2Se4', 25),
('YPtAs', 25),
('PbCl2', 25),
('Ni20Ho6P13', 25),
('LuRuB2', 25),
('IrYGe2', 25),
('CeMn6Ni5', 25),
('Ce4Ho11S22', 24),
('Co2GaGd6', 24),
('PbPS3', 24),
('Al8CaCo2', 24),
('AgFeO2', 24),
('K6HgS4', 23),
('U2Mo3Si4', 23),
('MoUC2', 23),
('FeB', 23),
('Ni12SrB6', 23),
('Perovskite-NdAlO3', 23),
('Bi2Te3', 23),
('NiTi2', 23),
('Na3AsS3', 23),
('LaPtSi', 23),
('Ga21Ho4Ni10', 23),
('Bixbyite-Mn2O3', 23),
('Co3Tb4B6', 23),
('ErIr3B2', 23),
('Al2Cu', 22),
('Rutile-TiO2', 22),
('LuRu4B4', 22),
('Perovskite-Na3AlF6', 22),
('BaSiF6', 22),
('Be3Nb', 21),
('CoNb3S6', 21),
('In5Bi3', 21),
('Fe3TlTe3', 21),
('LaIrSi', 21),
('Cr2Ho2C3', 21),
('InPt2Gd', 21),
('K2WSe4', 21),
('KInS2', 21),
('KZnAs', 20),
('Elpasolite-K2NaAlF6', 20),
('Al4Mo2Yb', 20),
('Na2SiO3', 20),
('ZrSSi', 20),
('Li2ZrF6', 20),
('KOsF6', 20),
('SrGaSn', 20),
('Ca14MnAs11', 19),
('Mo5Si3', 19),
('CuCrSe2-AgCrSe2(R3m)', 19),
('CsCu2Cl3', 19),
('Co3Ga9Y2', 19),
('Nd2Te4O11', 19),
('Sillenite-Bi12SiO20', 19),
('Perovskite-SrTiO3-Cr3AsN', 19),
('FeBiO3', 19),
('YTaO4', 19),
('InTe-Tl2Se2', 19),
('Rh3ScSi7', 19),
('Hf5Rh2In4', 19),
('Na2HgO2', 19),
('K2Pb(SO4)2', 19),
('FePS3', 18),
('Na2Re3S6', 18),
('Y3TaO7', 18),
('Au3K2', 18),
('Mn2ZrHx-frame', 18),
('PrOI', 18),
('Mn23Th6-filled', 18),
('BaCuF4', 18),
('Co4Ge7Zr4', 18),
('Perovskite-Ba2LaRuO6', 18),
('LaB2C2', 18),
('CoNb4Si', 17),
('Wurtzite-ZnS(2H)', 17),
('CaC2', 17),
('Er4NiB13', 17),
('Fluorite-CaF2(defect)', 17),
('V6Si5', 17),
('NaTl', 17),
('La11Ni4In9', 17),
('CsPrS2', 17),
('Mo1+xMo6S8', 17),
('LiFeO2-alpha', 17),
('BaCd11', 17),
('K2Cr2O7', 17),
('DyMn2O5', 16),
('EuGa2S4', 16),
('MnPSe3', 16),
('Ho11Ge10', 16),
('NaHS-HT', 16),
('BaNiS2', 16),
('Ho2Rh12As7', 16),
('Ba4SiAs4', 16),
('CuInPt2', 16),
('Li3LaSb2', 16),
('Co19Zr5P12', 16),
('Auricupride-AuCu3', 16),
('AlCe', 16),
('K2ZnBr4', 16),
('CrU8S17', 16),
('K5Sb3Sn', 16),
('Eu2Zr2O7', 16),
('Nd3Ni13B2', 16),
('Ca3PI3', 15),
('CeRu2B2', 15),
('Al2Mo3C', 15),
('Cu2HgI4', 15),
('NdOF', 15),
('MnNb4S8', 15),
('TlI', 15),
('Pseudobrookite-Fe2TiO5', 15),
('Y2TiO5', 15),
('Ba4OCl6', 15),
('CaLiSi2', 15),
('KBrF4', 15),
('UCl3', 15),
('ScU3S6', 15),
('AgErSe2', 15),
('La3InS6', 15),
('In2Mo15Se19', 15),
('Bi(IO3)3', 15),
('Pyroxene-CaIrO3', 15),
('NdRh2Sn4', 15),
('CoGa3Pr8', 15),
('Ce2CuGe6', 14),
('Pd3US4', 14),
('LiTiS2', 14),
('YAlGe', 14),
('K2PdP2', 14),
('Cr11Ge8', 14),
('PrPS4', 14),
('ZnS(defect)-Cu2HgI4(HT)', 14),
('Al2(WO4)3', 14),
('Perovskite-BaPbO3', 14),
('Hf2Ni3Si4', 14),
('CaRh2B2', 14),
('NiSmGe3', 14),
('CrUS3', 14),
('Co3HoP2', 14),
('LuMnO3', 14),
('AlFe2B2', 14),
('In2ZnS4(hR7)', 14),
('Li2SnO3', 14),
('ErPtF7', 14),
('InSn2I5', 14),
('LiYSn', 14),
('ScUS3', 14),
('CuSO4', 13),
('Al10Fe2Yb', 13),
('Rh(PO3)3', 13),
('Perovskite-BaTiO3(tet)', 13),
('Sb2S3', 13),
('CeNiSb3', 13),
('Be2SiO4', 13),
('Ce3Pt23Si11', 13),
('Ca3Ge2As4', 13),
('Sr4Mn3O10', 13),
('Ni5YSi3', 13),
('ThMoB4', 13),
('Cu2Sc2O5', 13),
('Fe6Ga6Sc', 13),
('Yb3S4', 13),
('Zr5Si4', 13),
('LiCo6P4', 13),
('GdPS', 13),
('GaMo4S8(HT)', 13),
('Er3GaS6', 13),
('Rh2Y3Si2', 13),
('Ho5Au2Sb', 13),
('AlCoPr2', 13),
('DyB2C2', 13),
('In5S4', 13),
('Aragonite-CaCO3(oP20)', 13),
('MoNiP2', 13),
('SmSI', 13),
('Co2InTb', 13),
('Enargite-Cu3AsS4', 13),
('Ca5Ga2As6', 12),
('Na2MnCl4', 12),
('Al2Sr3P4', 12),
('La2CuO4', 12),
('Cs3Tl2Cl9', 12),
('Ba2MnS3', 12),
('Na5ReO6', 12),
('FeU2S5', 12),
('Cementite-Fe3C', 12),
('ErNiB4', 12),
('La23Ni7Mg4', 12),
('Sr3Ti2O7', 12),
('Ag3CsS2', 12),
('Al3ScC3', 12),
('Brucite-Mg(OH)2', 12),
('Y2ReC2', 12),
('Na4SiO4', 12),
('CeTmS3', 12),
('Hg3S2Cl2', 12),
('Pr10S14O', 12),
('La6MnSi2S14', 12),
('LaMo5O8', 12),
('Sn2F6', 12),
('K3SiF7', 12),
('K2PtS2', 12),
('Ir3Ge7', 12),
('Ce3Co11B4', 12),
('Perovskite-PbTiO3', 12),
('NdTaO4', 12),
('MgNb2O6', 11),
('Cs2Zn3S4', 11),
('Na2SiF6', 11),
('Nd2WO6(mS72)', 11),
('Mg2Ga', 11),
('Yb5Sb3', 11),
('Ce(SO4)2', 11),
('Gd2SiO5', 11),
('Ge2LaPt2', 11),
('Tm4Zn5Ge6', 11),
('AlOOH(Diaspore)', 11),
('Nd(BO2)3', 11),
('K2Al2Sb3', 11),
('CuSmP2', 11),
('CaAl12O19', 11),
('Cs3Tb7Te12', 11),
('KAlO2', 11),
('BaMo6S8', 11),
('UAsTe', 11),
('Dy3Ni7B2', 11),
('Ce2Co7B3', 11),
('Co5USi3', 11),
('YOOH', 11),
('In5Nd4S13', 11),
('SrZrS3', 11),
('NaCl(defect)-VC.75', 11),
('CaCrF5', 11),
('Ga41V8', 11),
('La4Ge3S12', 11),
('Ce3NiSi3', 10),
('Dy12Mn5C15', 10),
('AgBiSe2', 10),
('CdI2', 10),
('Perovskite-NaTaO3', 10),
('Co5Cr2Mo3', 10),
('ZrP2O7', 10),
('KBO2', 10),
('Cu4NaAs2', 10),
('CoYC(tP6)', 10),
('SrB4O7', 10),
('Ni4U3Si4', 10),
('Al3Ti', 10),
('CoW2B2', 10),
('YBO3', 10),
('K3AlSe3', 10),
('CaSO4', 10),
('KClO3', 10),
('Al9Co2Sr', 10),
('GeSb2Te4', 10),
('Ce2CuGa12', 10),
('Fe4Y2Si9', 10),
('FeYb2S4', 10),
('K2RbC60', 10),
('Cu3VS4', 10),
('Ag8SiTe6', 10),
('CsClO4', 10),
('CrSi2', 10),
('Tl3VS4', 10),
('Na3As', 10),
('LiCuO', 10),
('CrOOH(R3-m)', 10),
('NaNiO2(mS8)', 10),
('(Mn,Fe)2PO4F', 10),
('CeCoC2', 10),
('Marcasite-FeS2(oP6)', 10),
('Dy2Ni2Al', 10),
('HoPdGe', 10),
('NdCu2O4-x', 9),
('Sr2IrH5', 9),
('CaSiO3(HP)', 9),
('K2SnCl6', 9),
('FeF3', 9),
('Er2FeC4', 9),
('BaSO4(HT)', 9),
('BaRuO3', 9),
('Bi2Pb2Se5', 9),
('MgSeO3', 9),
('Er2Ge2O7', 9),
('Er4Ni13C4', 9),
('Ho4Mo4O11', 9),
('Na2SnF6', 9),
('CoMoO4', 9),
('Ho2Ni10B5', 9),
('NdTe3', 9),
('Er2RhSi3', 9),
('Na3Pt4Ge4', 9),
('Co11Ga6Sm26', 9),
('Mg2NiH4', 9),
('Mo3Se4', 9),
('AlMgB14', 9),
('LaCoAl4', 9),
('TbP5O14', 9),
('Nd2CuO4', 9),
('Ce2Ni22C3', 9),
('DyNi4Si', 9),
('TbB2C', 9),
('LiAlCl4', 9),
('CrEr2S4', 9),
('TlSbS2', 9),
('CeCu6', 9),
('Mg6MnO8', 9),
('Tb(BO2)3', 9),
('HoCuAl3', 9),
('Mg3(PO4)2', 9),
('LaNi4AlH4-frame', 9),
('Ce3Ni2-xSn7-y', 9),
('KTh2Se6', 9),
('CeNi12B6', 9),
('SrLaI4', 9),
('K4BeP2', 9),
('NaV(SO4)2', 9),
('HgPbP14', 9),
('Cr3C2', 9),
('NiAs2', 9),
('Ag16Ca6N', 9),
('Er2RhSi3(P6-2c)', 9),
('Tl2Ge2S5', 9),
('Yb2S2O', 9),
('K2NbF7', 9),
('Co9S8', 9),
('Pyroxene-CaMg(SiO3)2', 9),
('Berlinite-AlPO4', 9),
('Co2Si', 9),
('Ba4Y3F17', 9),
('CoGdGa', 9),
('PbMo6Cl14', 9),
('TlPb2Cl5', 9),
('YPdSi', 9),
('NaPdC2', 8),
('BiZr3F15', 8),
('ZnSe2O5', 8),
('KNiCl3', 8),
('Y3Co2', 8),
('Ba2ZnO3', 8),
('Al2Ca3Ge2', 8),
('Eu3Sb4S9', 8),
('KFeS2', 8),
('Sm3NS3', 8),
('Lu2Te5O13', 8),
('Fe2(SO4)3', 8),
('LuNiSn2', 8),
('Eu2(WO4)3', 8),
('Ce4MnSn7', 8),
('LiCuO(I4-2m)', 8),
('Mg3TeO6', 8),
('Er2Ni3B6', 8),
('La2SbO2', 8),
('K6Fe2O6', 8),
('Sm3RuO7', 8),
('Dy2Te', 8),
('KOH', 8),
('Na5FeO4', 8),
('LaPd2O4', 8),
('Fe3Th7', 8),
('AuCaGe', 8),
('Co7Ho6Ga21', 8),
('Cu4KS3', 8),
('NaHS', 8),
('K2ZnCl4', 8),
('Na3Fe2S4', 8),
('LiMnSe2', 8),
('NdNiGa2', 8),
('BaCu2S2', 8),
('Ag2SeO3', 8),
('LiTiO2', 8),
('Ti4AlN3', 8),
('Co40Ta13Si31', 8),
('K9Fe2S7', 8),
('Au4KSn2', 8),
('La2SnS5', 8),
('TmRuGa3', 8),
('Nb5Cu4Si4', 8),
('Kotoite', 8),
('NdYbS3', 8),
('Rb2CuCl4', 8),
('K6W2O3N4', 8),
('AlAu4', 8),
('Cs4PbO4', 8),
('CeRhAl', 8),
('Ho2Ni15B9', 8),
('Na2SO4', 8),
('Ca2P2O7(beta)', 8),
('CeSe2O6', 8),
('CsCrBr3', 8),
('RbNiCrF6', 8),
('FeZr6Cl14', 8),
('Ga2Gd3', 8),
('GeS', 8),
('Ca3AsN', 8),
('K3AuGe4', 8),
('VOSO4-alpha', 8),
('Ni3V2O8', 8),
('CsGdTe4', 8),
('Er3Ru4Si12', 8),
('Nd2WO6(oP36)', 8),
('Al2S3', 8),
('Ba7Cl2F12', 7),
('Nd3Co3Ga', 7),
('K2Pd3S4', 7),
('CoYC(tP3)', 7),
('Co7Gd2', 7),
('Ni60Yb11C6', 7),
('Minium-Pb3O4', 7),
('Ce2Li2Ge3', 7),
('AgYbS2', 7),
('ZnMoO4', 7),
('Sm6Co2Si3/Co3Ho4', 7),
('K2Cd3S4', 7),
('Ca2AlFeO5(oI)', 7),
('YbP5O14', 7),
('Rb4Re6S13', 7),
('CrB', 7),
('Rb3PdF5', 7),
('SiTa4Te4', 7),
('CsNbN2', 7),
('BaMnO3', 7),
('TaN', 7),
('AgSbO3', 7),
('Tl4Ge2S6', 7),
('Th11Ru12C18', 7),
('Hg2P3Cl', 7),
('Li8IrO6', 7),
('SrSiO3', 7),
('Ba3Yb4O9', 7),
('V2Zr3Ga4', 7),
('La6Ni6P17', 7),
('K3Na(SO4)2', 7),
('Am(IO3)3', 7),
('Ni2TbB2', 7),
('Ce2CrN3', 7),
('Sr3Al2Ge4', 7),
('Lu3Co8Sn4', 7),
('Spinel-Al2MgO4, reduced symmetry', 7),
('Co(AlCl4)2', 7),
('GaMo4S8', 7),
('NaBiO2', 7),
('Na2Ti6O13', 7),
('Cd4GeS6', 7),
('K2MnF6', 7),
('Sc3FeC4', 7),
('(Ce,Zr)O2', 7),
('PrAuAs2', 7),
('CaIn2Te4', 7),
('BaUO4', 7),
('Rh3Y2Sn5', 7),
('K4Ti3S14', 7),
('Zr2NiAs2', 7),
('Eu6Rh30As19', 7),
('Cs6Ga2P4', 7),
('CrUO4', 7),
('SrZnO2', 7),
('RbBSe3', 7),
('Ba3AlSb3', 7),
('Sr(NO3)2', 7),
('Stannite-Cu2FeSnS4', 7),
('MnP4O11', 7),
('Nb2Se3', 7),
('Pyroxene-MgSiO3', 7),
('CoUC2', 7),
('Zn4Ta2O9', 7),
('NiZr2Hx-frame', 7),
('Na3FeS3', 7),
('Ca3InP3', 7),
('Na3IrH6', 7),
('Gd5Si2Ge2', 7),
('PbU2Se5', 7),
('Mo6Ni6C', 7),
('Sm4Co3Ga16', 7),
('Gd3MnI3', 7),
('Cu2GeS3', 7),
('LiPr2Ge6', 7),
('Al2(SO4)3', 7),
('AgDyTe2', 7),
('Sr21Cd4Bi18', 7),
('TbFe6Sn6', 7),
('HoFe6Sn6', 7),
('Ca2SiO4', 7),
('ThTi2O6', 7),
('PrAgAs2', 7),
('Ag7NbS6', 7),
('In3Mo15Se19', 7),
('CuYS2', 7),
('Ag4K2S3', 7),
('CePt2B', 7),
('Ca2Sb2O7', 7),
('ZrSi2', 7),
('Eu(N(CN)2)3', 7),
('Gd2Fe2I', 7),
('ErRh3Si2', 7),
('Li5Mo9S12', 7),
('Cs2Pt3S4', 7),
('Lavenite', 7),
('CrOOH(oP8)', 7),
('Ce2AlGe2(Ge,Al)4', 6),
('ZnB4O7', 6),
('Sr2AlFeO5', 6),
('K2SnCl6(LT)', 6),
('Sr2Zn2As3', 6),
('BiMnO3', 6),
('K4Nb2S11', 6),
('Laves(4H)-MgNi2', 6),
('K4Nb6Cl18', 6),
('KCd4As3', 6),
('LuFe2O4', 6),
('RhTe6Cl3', 6),
('MnTb2S4', 6),
('Cs5SiP3', 6),
('K3CrO8', 6),
('CuMoF6', 6),
('ReBiO4', 6),
('RbCuC2', 6),
('Sr2ZnP2', 6),
('Pb2Sb2S5', 6),
('Ca2CdAs2', 6),
('NaN3(beta)', 6),
('Co5Ti3B2', 6),
('SrNi5P3', 6),
('Nb2Co4O9', 6),
('KCuO', 6),
('RbAuS', 6),
('AgNb3S4', 6),
('CaB2O4(HP)', 6),
('K3NO4', 6),
('SrNi4Sn2', 6),
('Zn3P2', 6),
('CrPS4', 6),
('Skutterudite-CoAs3', 6),
('Yb(ReO4)3', 6),
('Zn2Te3O8', 6),
('U4S3', 6),
('Al3Y2Si2', 6),
('Tm7Cu3Te12', 6),
('Al5Ni2Zr', 6),
('La2Zn6Ge3', 6),
('Ba3FeN3', 6),
('CeSiP3', 6),
('KYbSiS4', 6),
('CeErS3', 6),
('Ba4Li2Si6', 6),
('Li4TeO5', 6),
('BaV10O15', 6),
('KRu4O8', 6),
('CaGa2O4-LT', 6),
('PrZn3As3', 6),
('Al4Cu9', 6),
('Na1.55Si17', 6),
('La12I17(C2)3', 6),
('CdIn2Se4', 6),
('K3BP2', 6),
('K6Sn2Te6', 6),
('SCl3AlCl4', 6),
('Ag8GeS6', 6),
('MgB4O7', 6),
('CeNi5Sn', 6),
('Perovskite-NaNbO3(tP10)', 6),
('Ni3SnP', 6),
('Nd3Ni7P5', 6),
('Li3In2(PO4)3', 6),
('Cr3B4', 6),
('Ho3Ni19B10', 6),
('TiMn2O4', 6),
('Sm2F(AuF4)5', 6),
('Dy8Rh5C12', 6),
('Na52Au81Si29', 6),
('Ce3Pd6Sb5', 6),
('K2VO2F3', 6),
('CeLi2Ge', 6),
('UBC', 6),
('Sm9Sb5O5', 6),
('Cr12P7', 6),
('Yb3Sb5O12', 6),
('NaOH', 6),
('Al3Zr2C4', 6),
('Ca9Zn4Bi9', 6),
('GeRh3Y2', 6),
('Ag7PSe4Se2', 6),
('KCoO2(tP16)', 6),
('K2PtCl4', 6),
('Cs3Bi2Br9', 6),
('TaIrTe2', 6),
('AlCr2-MoSi2', 6),
('Li2MnF6', 6),
('Mn23Y6Hx-frame', 6),
('Ca11InSb9', 6),
('CdGeO3', 6),
('NiSc3Si3', 6),
('BaTi2Fe4O11', 6),
('AlOOH(oS16)', 6),
('Ti2CuSb3', 6),
('Fe2TiO5(C2/c)', 6),
('Sm3SbO3', 6),
('Ta2Pt3Se8', 6),
('Ho2S2Te', 6),
('Sr2Ga2S5', 6),
('Na4Ge4S10', 6),
('Ce2Cu9In3', 6),
('Li7SbO6', 6),
('Ho10In20Ni9', 6),
('MnNi2Ga', 5),
('CeTa7O19', 5),
('Th7Se12', 5),
('La2Zn3Ge6', 5),
('Pb(PO3)2', 5),
('Li4CO4(Cm2)', 5),
('ScAuSi', 5),
('Rb4In2S5', 5),
('Rb3TlF6', 5),
('Pr2Si2O7', 5),
('ZnAu2F8', 5),
('RbNO3', 5),
('AgTlTe2', 5),
('Al5C3N', 5),
('Tb117Fe52Ge112', 5),
('Pr2MoC2', 5),
('PH4I', 5),
('Tl4HgBr6', 5),
('Zn(CN)2(disordered)', 5),
('Zr3PbO4F6', 5),
('Pyroxene-MgSiO3-LT', 5),
('Be3N2', 5),
('SnWO4(oP24)', 5),
('K2SnO3', 5),
('NaV6O11', 5),
('AuEuGe', 5),
('Al2CuCl8', 5),
('Ge3Nd4Rh4', 5),
('InOOH', 5),
('BiCa2VO6', 5),
('Pr3MoO7', 5),
('Er(PO3)3', 5),
('Cu2P2O7', 5),
('(SeCl3)2ReCl6', 5),
('K2B2S7', 5),
('NaxBa7F12Cl2', 5),
('Li5GaO4-alpha', 5),
('Y5Mo2O12', 5),
('Na2Zn2O3', 5),
('ScRhSi2', 5),
('CsCd4As3', 5),
('Mg7ScH16', 5),
('CdP3Cl', 5),
('Ag8SiS6', 5),
('Rb2TiO3', 5),
('Na2Ta4O11', 5),
('PdTa2S6', 5),
('Fe3(PO4)2(mP26)', 5),
('Sr3SiO5', 5),
('La2Ti2O7(mP44)', 5),
('Cs9GaO4', 5),
('Li2PdO2', 5),
('KAlF4', 5),
('Na3GdCl6', 5),
('Ce2S3', 5),
('Mn2SnS4', 5),
('KVO3', 5),
('Na2PtS2', 5),
('Li4CO4(C2)', 5),
('Rh2Y3', 5),
('MnPt3O6', 5),
('UTe2', 5),
('Perovskite-BaBiO3(mS20)', 5),
('CsCu3S2', 5),
('Nd3Br5S2', 5),
('CaAl4O7', 5),
('Auricupride-AuCu3-filled', 5),
('V(PO3)3', 5),
('Pr4O4Se(Se2)', 5),
('Rb3Nb2S11', 5),
('Hf3Mn2Ga6', 5),
('CsCl', 5),
('Ba5Si3', 5),
('Gd2(MoO4)3(oP68)', 5),
('CaMn7O12', 5),
('Ta2S2C', 5),
('Ag51Gd14', 5),
('ThB2C', 5),
('Zn4B6O13', 5),
('SnTaS2', 5),
('VO2(HT)', 5),
('Cu4Mn3Bi4', 5),
('Rb2PtO4', 5),
('Nd4N2Te3', 5),
('Na3AgO2', 5),
('Cu8Rb3Se6', 5),
('Baddeleyite-ZrO2(mP12)', 5),
('CuClSe2', 5),
('CeCr2B6', 5),
('Ca11Ga7', 5),
('Cd6Sr11Sb12', 5),
('Co6Ho7Sn23', 5),
('Ga2NiHf', 5),
('NbOCl3', 5),
('Er3Pd7P4', 5),
('CaV3O7', 5),
('YVO3', 5),
('Nolanite', 5),
('Whitlockite', 5),
('Al2Ca5Bi6', 5),
('BaZn5', 5),
('Er3B5O12', 5),
('Proustite', 5),
('TbNi10Si2', 5),
('La4NiS7', 5),
('Ca3Ru2O7', 5),
('Ce2SiS5', 5),
('AlFe(MoO4)3', 5),
('Ca9Al6O18', 5),
('Cs3HgCl5', 5),
('Li6ZnO4', 5),
('La3Ru8B6', 5),
('Ni3Sn', 5),
('La10Ga5Cl4', 5),
('In(OH)3', 5),
('Ni2(PO3)4', 5),
('Dy5Co6Sn18', 5),
('Ce4Ni7In8', 5),
('CeBS3', 5),
('La4Au2O9', 5),
('La6MnSb15', 5),
('K2B12H12', 5),
('CaGaN', 5),
('Ce7Li8Ge10', 5),
('Mg(NH2)2', 5),
('La2Ir3Sb4', 5),
('LaNi5Hx-frame', 5),
('Ti3C2Si', 5),
('Rb4CO4(II)', 5),
('Tl2Pt4Te6', 5),
('Th2FeB10', 5),
('Li4CO4(P4-3m)', 5),
('Fe3(PO4)2(mP52)', 5),
('Co2P2O7', 5),
('K3Cu2P2', 5),
('Na5Al3F14', 5),
('Ca2RuO4', 5),
('SrFe2As2', 5),
('Ni3Zr2P3', 5),
('Sc3RhC4', 5),
('NbSeBr3', 5),
('AgGdS2', 5),
('BaMg4Si3', 5),
('CoW3B3', 5),
('CsCuSe4', 5),
('(Ca8)xCa2', 5),
('KFeF4', 5),
('Nb2TiO7', 5),
('Ni3Bi2Se2', 5),
('Hg5Ga2Se8', 5),
('Rb4CO4(I)', 5),
('V4Sb2Si', 5),
('CdSO4', 5),
('La2SrCu2O6', 5),
('PrNiSb2', 5),
('Pr2Re3B6', 5),
('Rb6Si3O9', 5),
('fcc(ccp)-Cu', 5),
('KCuF3(tI20)', 5),
('Ca2V2O7', 5),
('Ce4Mg7Ge6', 5),
('K4Nb2S9Se2', 5),
('RbB5O8', 5),
('K2SO4(alpha)', 5),
('LaNiO2', 5),
('CeNiSb3(oP60)', 5),
('Ni(N(CN)2)2', 5),
('Y14Co3In3', 5),
('KCuO2', 5),
('KV3O8', 5),
('PtGeSe', 5),
('K2Mo9S11', 4),
('Ba(OH)2H2O', 4),
('FeZrGa2', 4),
('KNH2', 4),
('NaMo6Cl13', 4),
('Pr4Cl5C2', 4),
('YBC', 4),
('PbO2-alpha', 4),
('Ce16Mo21O56', 4),
('Cr(CO)6', 4),
('CuSeO3', 4),
('Bi10(HfCl6)3', 4),
('PdSO4', 4),
('Ce3Rh3Si2', 4),
('Li7PN4', 4),
('FeAsO4', 4),
('Perovskite-K2LiAlF6', 4),
('Pr2C3', 4),
('Ba5Ta4O15', 4),
('SbPO4', 4),
('Ca2H3Br', 4),
('CdS2O7', 4),
('ErLiO2', 4),
('Tl6I4S', 4),
('Na4CO4', 4),
('BaAl2O4', 4),
('Re6S8Br2', 4),
('Ag8GeSe6', 4),
('Al9YNi3', 4),
('Na4UO5', 4),
('Ca6GaN5', 4),
('Li4CO4(Cm1)', 4),
('YNiSi3', 4),
('PrBN2', 4),
('Ca(BH4)2', 4),
('NdSi2-x', 4),
('FeSO3', 4),
('Tl3AsSe3', 4),
('La2NiO4', 4),
('Nd2Ni7P4', 4),
('Ti4CoFeH6', 4),
('BaAlF5', 4),
('Gd2Si2O7', 4),
('CeMgSi2', 4),
('Al9Na4Ge14', 4),
('NiCr2O4', 4),
('Mg3Ti(BO3)2O2', 4),
('U(beta)-CrFe', 4),
('CsMo6Te7', 4),
('MoS2(4H)', 4),
('TiMn2P12', 4),
('Sr6NGa5', 4),
('Li4CO4', 4),
('BaHg11', 4),
('RbCr3S5', 4),
('Fe(IO3)3', 4),
('Spinel-defect', 4),
('LiMnO2', 4),
('Ru4Sn6Y', 4),
('TlAsS2', 4),
('CoMo2S4', 4),
('Ba4Zr3S10', 4),
('Al23Gd4Ni6', 4),
...]
In [22]:
for struct_type,freq in uniq_struct_type_freq_sorted[:10]:
print("{} : {}".format(struct_type, freq))
fffs = [p[1] for p in uniq_phases if p[2] == struct_type]
fmt = " ".join(["{:14}"]*5)
print(fmt.format(*fffs[0:5]))
print(fmt.format(*fffs[5:10]))
print(fmt.format(*fffs[10:15]))
print(fmt.format(*fffs[15:20]))
ThCr2Si2 : 676
Sm1 Ni2 Sb2 Yb1 Si2 Ag2 Pr1 Fe2 Si2 Np1 Si2 Au2 Tb1 Co2 B2
Ce1 Al3 Cu1 Nd1 P2 Pd2 Yb1 Co2 Ge2 Np1 Ni2 Ge2 U1 Si2 Ir2
Gd1 Ni2 Sb2 Ho1 Si2 Pt2 Sm1 Fe2 Si2 Dy1 Mn2 Ge2 Er1 Mn2 Si2
Pr1 Co2 B2 La1 Mn2 Ge2 Ba1 Ag2 Ge2 Ba1 Al2 Si2 Sm1 Fe2 Ge2
TiNiSi-MgSrSi : 586
Ti1 As1 Rh1 Gd1 Zn1 Rh1 Pr1 Ge1 Rh1 Hf1 Si1 Rh1 Er1 Ga1 Pd1
Gd1 Ge1 Rh1 Nb1 Fe1 Si1 Yb1 Ni1 Sn1 Sr1 Li1 Bi1 Yb1 Mg1 Pd1
Ti1 Co1 P1 U1 Co1 Ge1 Gd1 Ge1 Ir1 Tm1 Ga1 Pt1 Tb1 Ni1 Ge1
Y1 Si1 Pt1 Ti1 Si1 Ru1 Ho1 Ge1 Ru1 Sm1 Ge1 Pt1 Co1 Mo1 P1
ZrNiAl-Fe2P : 511
Gd1 Zn1 Pd1 Dy1 Mg1 Pd1 Cr1 Ni1 P1 Ho6 Mn1 Te2 Gd1 Pd1 Pb1
U1 Al1 Rh1 Sm1 Cd1 Cu1 Nb1 Fe1 B1 Ce1 Cd1 Pt1 Pu1 Al1 Ni1
Dy1 Sn1 Pt1 Ho1 Al1 Cu1 Na1 Sr1 P1 La1 Mg1 Tl1 Th1 Al1 Pd1
Ho1 Mg1 In1 Gd1 In1 Rh1 Yb1 Cd1 Ge1 Zr1 Ga1 Pt1 Tm1 Ag1 Sn1
Perovskite-CaTiO3 : 439
Eu1 D3 Pd1 Th1 Ta1 N3 Cs1 I1 O3 Rb1 U1 O3 La1 B1 Rh3
Ca1 Zr1 O3 Ba1 Nb1 O3 Y3 Tl1 C1 Ti3 In1 N1 Ho3 Tl1 C1
Gd3 In1 N1 K3 Cl1 O1 Nd3 Tl1 C1 Ca3 Au1 N1 Sc3 In1 N1
Ho1 B1 Rh3 Ce3 Tl1 C1 Ta1 Sn1 O3 Ti3 In1 C1 Ca3 Sn1 O1
Heusler-AlCu2Mn : 343
Sc1 Al1 Au2 Zr1 In1 Pt2 Li2 Mg1 Sb1 Ce4 Mg9 Fe3 Ce1 In1 Cu2
Sc1 In1 Pt2 Li2 Mg1 In1 Hf1 Co2 Sn1 Dy1 In1 Au2 Mn1 Ga1 Fe2
Li2 Sn1 Pt1 Ho1 In1 Au2 Li2 Cd1 Sb1 V1 Co2 Si1 As1 Pd6 Pb1
Y1 Sb1 Pd2 Mn1 Ga1 Ir2 Cu1 Sn1 Rh2 Li2 Cd1 Ge1 Sc2 Mn1 Si1
Mn12Th : 339
Ce1 In7 Cu5 Gd1 V2 Fe10 Tm1 Al6 Cu6 Er1 Mn4 Al8 Gd1 Mn6 Al6
Ho1 Al8 Cr4 Gd1 Fe10 Si2 Ho1 V2 Fe10 Tb1 Fe11 Mo1 Yb1 Mn6 Al6
Ce3 Fe20 Mo3 Y1 Mn6 Co6 Sm1 Al8 Fe4 Ce1 Al8 Fe4 Sm1 Ti1 Fe11
La1 Al8 Cr4 Tb1 Si2 Ni10 Yb1 Al6 Cu6 Lu1 Al8 Cu4 Sm1 V2 Fe10
PbClF/Cu2Sb : 334
Tb1 S1 F1 Na1 Zn1 P1 Ba1 Mn1 Ge1 La1 Co1 Ge1 U1 Ge1 S1
K1 Li1 S1 Tb1 Co1 Si1 Mg1 Co1 Ge1 Mn1 Cr1 As1 Dy1 Fe1 Si1
Ba1 H1 Cl1 Bi1 I1 O1 U1 Te1 As1 Pr1 Sb1 Te1 Rb1 Ca1 As1
Cs1 Mn1 Sb1 Ca1 Mn1 Ge1 Na1 Zn1 P1 Sr1 Cl1 F1 Ac1 Br1 O1
Perovskite-GdFeO3 : 314
La1 Ga1 O3 Cd1 Tc1 O3 Tb1 Cr1 O3 Lu1 V1 O3 Ba1 Pu1 O3
K1 Ca1 F3 Ho1 Ni1 O3 Na1 Fe1 F3 Y1 Mn1 O3 La1 Sc1 O3
La1 Tm1 O3 Y1 Fe1 O3 Ba1 Ce1 O3 Nd1 Rh1 O3 Tb1 Rh1 O3
Sr1 Ru1 O3 Dy1 Co1 O3 Sm1 Co1 O3 Lu1 Rh1 O3 Ca1 Nb1 O3
Spinel-Al2MgO4 : 305
Tm2 Cd1 Se4 Li1 V2 O4 Mn1 In2 S4 Mn3 Fe3 O8 Cr1 Fe2 O4
Zn1 In2 O4 In2 Fe1 S4 Cd1 In2 O4 Sc2 Mn1 Se4 Zn1 Cr2 Se4
Yb2 Cd1 S4 Fe2 Cu1 O4 Mg1 Rh2 O4 Sc2 Cd1 S4 Li2 Cd1 Cl4
Mg1 Fe2 O4 Ho2 Cd1 S4 V1 Zn2 O4 Lu2 Mn1 Se4 Zn1 Ga2 O4
Delafossite-NaCrS2 : 278
Na1 Y1 S2 Cs1 Lu1 S2 Cu1 Rh1 O2 Na1 Dy1 S2 K1 Cr1 O2
Eu1 Cu1 O2 Tl1 Bi1 Se2 Cs1 Nd1 S2 Eu2 P1 I1 Sr2 Br1 N1
Mg2 N1 Cl1 Rb1 Tl1 O2 K1 Er1 S2 Sm1 Tl1 Te2 Rb1 Sm1 O2
Na1 Sm1 Se2 Rb1 Gd1 S2 Li2 Mo1 O3 Y1 Tl1 Te2 Li1 Cr1 O2
In [6]:
# What are the longest formulas?
for formula in sorted(formulas, key = lambda x: len(x), reverse = True)[:20]:
print(formula)
((Si (C H3)2)2 (Si (Si (C H3)3)2) (Si (C H3) (Si (C H3)3)) (Si (C H3) (Si (C H3)2 (Si (Si (C H3)3)3))))
((Si (C H3)2)2 (Si (Si (C H3)3)2) (Si (C H3) (Si (C H3)3)) (Si (C H3) (Si (Si (C H3)3)3)))
(((C H3) ((C H3)3 Si)2 Si (C H3)2 Si)2 Si (C H3) Si (C H3)2 Si (Si (C H3)3)2 Si (C H3)2)2
((((C H3)3 Si)3 Si (C H3)2 Si)2 Si (C H3) Si (C H3)2 Si (Si (C H3)3)2 Si (C H3)2)2
((Si (C H3)2)2 (Si (Si (C H3)3)2)2 (Si (C H3) (Si (C H3)2 (Si (Si (C H3)3)3))))
((Si (C H3)2)3 (Si (Si (C H3)3)2) (Si (C H3) (Si (C H3)2 (Si (Si (C H3)3)3))))
((Si (C H3)2)3 (Si (Si (C H3)3)2) (Si (C H3) (Si (Si (C H3)3)3)))
((Si (C H3)2)2 (Si (Si (C H3)3)2)2 (Si (C H3) (Si (C H3)3)))
((Si (C H3)2)4 (Si (C H3) (Si (C H3)3)) (Si (Si (C H3)3)2))
Ba8 (Si2.63 Al3.28) (Si11.3 Al4.32) (Si16.9 Al6.48)
(Mo138 O410 (O H)20 (H2 O)46) (H3 O)40 (H2 O)108
(Mo138 O410 (O H)20 (H2 O)38) (H3 O)40 (H2 O)78
(Mo138 O406 (O H)16 (H2 O)46) (H3 O)28 (H2 O)88
(Mo142 O400 (O H)52 (H2 O)38) (H3 O)28 (H2 O)34
(Mo148 O436 (O H)15 (H2 O)58) (H3 O)27 (H2 O)86
(Mo150 O451 (O H)5 (H2 O)61) (H3 O)35 (H2 O)139
Al1.5 (Al0.805 Nb0.195) (Al1.5 Ir1.5) Ir0.5 Nb3
(Li0.508 Fe0.192) (Li1.192 Fe0.808) (Fe2 O4)
(Si (C H3)3)4 ((C H3)11 Si6)2 (Si4 (C H3)4)
((Si (C H3)3)3 (C H3)8 Si6)2 (Si2 (C H3)4)
Two key insights:
In [8]:
def filter_in_set(compound, universe):
return all((e in universe) for e in Composition(compound))
transition_metals = [e for e in Element if e.is_transition_metal]
tm_ternaries = [c for c in formulas if filter_in_set(c, transition_metals)]
print("Number of intermetallics:", len(tm_ternaries))
Number of intermetallics: 1021
In [15]:
unique_tm_ternaries = set([Composition(c).formula for c in tm_ternaries])
print("Number of unique intermetallics:", len(unique_tm_ternaries))
Number of unique intermetallics: 848
In [16]:
unique_tm_ternaries
Out[16]:
{u'Ag0.25 Pd0.5 Au0.25',
u'Cd0.99 Ag0.09 Au0.91',
u'Cd2 Ag1 Au1',
u'Co0.05 Pd0.9 Rh0.05',
u'Co0.5 Ni0.5 Pt1',
u'Co1 Ni1 Pt2',
u'Cr0.176 Co0.442 Mo0.382',
u'Cr0.2 Fe0.6 Mo0.2',
u'Cr0.2 Ni0.72 W0.08',
u'Cr0.21 Fe0.62 Mo0.17',
u'Cr0.26 Fe0.62 Co0.12',
u'Cr0.4 Fe0.475 W0.125',
u'Cr0.4 Mo0.32 W0.28',
u'Cr0.8 Fe3 Re1.2',
u'Cr0.8 Ni0.8 Mo0.4',
u'Cr0.84 Co0.28 Re0.84',
u'Cr0.86 Co0.286 Re0.853',
u'Cr1 Co1 Pt2',
u'Cr1.14 Ni0.71 W0.14',
u'Cr1.67 Fe3.1 Mo0.23',
u'Cr15.01 Co22.99 W15',
u'Cr2.6 Co7.8 W2.6',
u'Cr6 Fe18 Mo5',
u'Cr9.54 Ni21.22 Mo25.24',
u'Cr9.61 Ni21.27 Mo25.12',
u'Cu0.33 Ni0.34 Au0.33',
u'Cu0.333 Ni0.333 Pd0.333',
u'Cu0.453 Pt0.047 Au0.5',
u'Cu0.75 Pd0.25 Au1',
u'Cu0.76 Pd0.24 Au1',
u'Cu0.84 Ni0.14 Au0.98',
u'Cu0.86 Ni0.14 Au1',
u'Cu0.94 Pt0.06 Au1',
u'Cu0.95 Pt0.05 Au1',
u'Cu1 Ag0.05 Au0.95',
u'Cu1 Ag0.08 Au0.92',
u'Cu1 Ni0.1 Au0.9',
u'Cu1 Ni0.14 Au0.86',
u'Cu1.33 Ni1.33 Pd1.33',
u'Fe0.01 Cu0.49 Au0.5',
u'Fe0.129 Co0.853 Au0.018',
u'Fe0.15 Ni0.55 Rh0.3',
u'Fe0.333 Cu0.333 Ni0.334',
u'Fe0.4 Ni0.5 Pt0.1',
u'Fe0.5 Co0.5 Pt1',
u'Fe0.5 Cu0.5 Pt1',
u'Fe0.5 Ni0.5 Pt1',
u'Fe0.5 Ni0.5 Pt3',
u'Fe0.75 Ni0.125 Pt0.125',
u'Fe1 Co1 Pt2',
u'Fe1 Cu1 Pt2',
u'Fe1 Ir0.05 Rh0.95',
u'Fe1 Ni1 Pt2',
u'Fe1 Pd1.5 Au1.5',
u'Fe1 Rh0.5 Pt0.5',
u'Fe1.5 Ni0.25 Pt0.25',
u'Fe1.5 Ni1.5 Pt1',
u'Fe2 Rh1 Pt1',
u'Fe5.6 Ni22.4 Mo28',
u'Hf0.08 Mo1.12 Ru0.8',
u'Hf0.1 Ti0.9 Ni1',
u'Hf0.1 Ti0.95 Ni0.95',
u'Hf0.1 Ti1 Ni0.9',
u'Hf0.16 Zr3.04 Mn8.8',
u'Hf0.16675 Ti0.16675 Mo0.667',
u'Hf0.16675 Ti0.16675 W0.667',
u'Hf0.16675 Zr0.16675 Mo0.667',
u'Hf0.167 Zr0.167 W0.666',
u'Hf0.17 Os0.5 W0.33',
u'Hf0.17 Ti1 Ni0.83',
u'Hf0.172 Zr3.268 Mn8.56',
u'Hf0.24 Ti0.76 Ni1',
u'Hf0.25 Ti0.89 Ni0.86',
u'Hf0.3 Zr0.7 Zn2',
u'Hf0.32 Zr1.68 Fe1',
u'Hf0.36 Ti0.64 Ni1',
u'Hf0.4 Ti0.8 Ni0.8',
u'Hf0.4 Ti1 Ni0.6',
u'Hf0.4 Zr0.4 Nb1.2',
u'Hf0.42 Ti0.91 Ni0.67',
u'Hf0.46 Ti0.75 Ni0.79',
u'Hf0.5 Ta0.5 Fe2',
u'Hf0.5 Ti0.5 Fe2',
u'Hf0.5 Ti0.5 Mo2',
u'Hf0.5 Ti0.5 Ru1',
u'Hf0.5 Zr0.5 Fe2',
u'Hf0.5 Zr0.5 Mo2',
u'Hf0.51 Ti0.59 Ni0.9',
u'Hf0.667 Ti0.333 Ni1',
u'Hf0.8 Ta0.2 Co2',
u'Hf0.8 Ta0.2 Fe2',
u'Hf0.8 Ti0.2 V2',
u'Hf0.8 Zr0.6 Nb0.6',
u'Hf0.84 Nb0.16 V2',
u'Hf0.87 Ta0.13 V2',
u'Hf0.9 Ta0.9 V1.2',
u'Hf1 Cu1 Hg2',
u'Hf1 Ta1 V4',
u'Hf1 Ti1 W4',
u'Hf1 V0.8 Fe1.2',
u'Hf1 V1.5 Ru0.5',
u'Hf1 Zn20 Ru2',
u'Hf1 Zr1 Fe1',
u'Hf1 Zr1 V4',
u'Hf1 Zr1 W4',
u'Hf1.2 Zr6.8 Zn16',
u'Hf1.5 Zn0.5 Cu1',
u'Hf2 Co0.94 Ni0.06',
u'Hf2 Ni0.52 Rh0.48',
u'Hf2 Ni0.58 Ir0.42',
u'Hf2 Ni0.7 Os0.3',
u'Hf2 Ni0.7 Ru0.3',
u'Hf4 Ag1 Pd1',
u'Hf6 Zn16 Cu7',
u'Hf9 Co1 Mo4',
u'Hf9 Co1 Re4',
u'Hf9 Co1 W4',
u'Hf9 Fe1 Mo4',
u'Hf9 Fe1 Re4',
u'Hf9 Fe1 W4',
u'Hf9 Ni1 Mo4',
u'Hf9 Ni1 W4',
u'Hf9 Re4 Ni1',
u'Ir0.55 Os0.25 Au0.2',
u'La0.4 Y0.6 Co5',
u'La0.5 Y0.5 Co5',
u'La0.5 Y0.5 Ni5',
u'La0.5 Zn11 Co0.5',
u'La0.7 Y0.3 Mn2',
u'La0.8 Ti0.2 Ni5',
u'La0.875 Cu1.32 Ni3.93',
u'La0.899 Cu0.86 Ni4.34',
u'La0.952 Cu0.94 Ni4.15',
u'La0.983 Mn1.8 Ni3.24',
u'La0.989 Mn0.32 Ni4.71',
u'La0.99 Mn0.32 Ni4.71',
u'La0.995 Mn0.91 Ni4.1',
u'La1 Cd1 Au1',
u'La1 Cd1 Pd1',
u'La1 Cd2 Ni0.958',
u'La1 Cd2 Pd1',
u'La1 Cd20 Ni2',
u'La1 Co0.3 Ni4.7',
u'La1 Co1 Cu12',
u'La1 Co1 Ni4',
u'La1 Co2.5 Ni2.5',
u'La1 Cr0.5 Ni4.5',
u'La1 Cu0.6 Ni4.4',
u'La1 Cu1 Ni4',
u'La1 Cu1.2 Ni3.8',
u'La1 Cu1.5 Ni0.5',
u'La1 Cu2 Ni3',
u'La1 Cu2.5 Ni2.5',
u'La1 Cu3 Ni2',
u'La1 Fe1 Ni4',
u'La1 Fe1.4 Ni3.6',
u'La1 Hg1 Pd1',
u'La1 Mn0.1 Ni4.9',
u'La1 Mn0.2 Ni4.8',
u'La1 Mn0.3 Ni4.7',
u'La1 Mn0.4 Ni4.6',
u'La1 Mn0.5 Ni4.5',
u'La1 Mn0.91 Ni4.1',
u'La1 Mn1 Ni4',
u'La1 Mn1.13 Ni3.87',
u'La1 Mn2 Ni3',
u'La1 Mn3 Ni2',
u'La1 Mn6 Ni5',
u'La1 Ni2 Pt3',
u'La1 Ni2 Rh3',
u'La1 Ni3 Rh2',
u'La1 Ni4 Pt1',
u'La1 Ni4 Rh1',
u'La1 Ni4.5 Pt0.5',
u'La1 Y2 Ni9',
u'La1 Zn0.39 Ni4.61',
u'La1 Zn0.91 Au1.09',
u'La1 Zn0.96 Ni0.04',
u'La1 Zn1 Ni1',
u'La1 Zn1 Ni4',
u'La1 Zn1 Pd1',
u'La1 Zn1 Rh1',
u'La1 Zn2.05 Ni2.95',
u'La1 Zn3.05 Ni1.95',
u'La1 Zn4 Co9',
u'La1 Zn4.05 Ni0.95',
u'La1.092 Mn0.44 Ni4.46',
u'La1.29 Mn0.46 Ni4.25',
u'La1.36 Zn9.5 Co8.14',
u'La15 Cd2 Rh5',
u'La2 Cd1 Ni1.66',
u'La2 Cd1 Rh2',
u'La2 Ni1 Pt1',
u'La2 Ta0.48 Co16.52',
u'La2 Ti1 Co16',
u'La2 V1 Co16',
u'La2 Zn1 Ni2',
u'La2.2 V12.8 Co11.7',
u'La23 Cd4 Pt7',
u'La23 Cd4 Ru7',
u'La3 Mn0.92 Ni8.08',
u'La3 Zn0.52 Cu0.48',
u'La3 Zn1 Ni3',
u'La3 Zn4 Pd4',
u'La3 Zn4 Pt4',
u'La3.43 Mn1.5 Ni1.07',
u'La4 Cd1 Co1',
u'La4 Cd1 Ru1',
u'La4.18 Mn0.82 Ni1.01',
u'La6 Cd4 Pd13',
u'La6 Zn4 Pd13',
u'La6 Zn4.46 Pd12.54',
u'La7 Zn1 Ni2',
u'Mn0.08 Cr0.23 Ni0.69',
u'Mn0.2 Fe0.5 Ni0.3',
u'Mn0.2 Zn1.5 Ag0.3',
u'Mn0.4 Co0.6 Pt1',
u'Mn0.4 Fe1 Pt2.6',
u'Mn0.4 Zn0.4 Cu3.2',
u'Mn0.5 Cr0.5 Pt3',
u'Mn0.5 Fe0.5 Pd3',
u'Mn0.5 Fe0.5 Pt1',
u'Mn1 Fe1 Pt2',
u'Mn1 Hg0.75 Au0.25',
u'Mn1.2 Fe2.6 Ni0.2',
u'Mn2.58 Fe0.42 Pt1',
u'Mn3 Rh0.5 Pt0.5',
u'Mn3.31 Co3.31 Mo3.31',
u'Mo0.2 Pd0.6 Rh0.2',
u'Mo0.25 Ru0.35 Pd0.4',
u'Mo0.25 Ru0.5 Pd0.25',
u'Mo0.3 Ru0.3 Rh0.4',
u'Mo0.4 Pd0.35 Rh0.25',
u'Mo0.45 Os0.1 W0.45',
u'Mo0.5 Pd0.45 Rh0.05',
u'Mo0.66 Ru0.66 Rh0.66',
u'Mo0.67 Ru0.67 W0.67',
u'Mo0.8 Pd0.4 Rh0.8',
u'Mo3 Ru0.5 Ir0.5',
u'Mo6 Ru1 Os1',
u'Nb0.3 Co0.4 Pt0.3',
u'Nb0.333 Mo0.333 W0.333',
u'Nb0.333 Re0.333 Mo0.333',
u'Nb0.333 V0.333 Re0.333',
u'Nb0.4 Cr0.2 Mo0.4',
u'Nb0.5 Ni3 Mo0.5',
u'Nb0.5 V0.5 Co3',
u'Nb1 Co0.2 Pt0.8',
u'Nb1 Cr0.44 Co1.56',
u'Nb1 Cr0.66 Co1.34',
u'Nb1 Cr1 Fe1',
u'Nb1 Cr1 Ni1',
u'Nb1 Cr1.02 Ni0.98',
u'Nb1 Cr1.04 Co0.96',
u'Nb1 Cr1.38 Co0.62',
u'Nb1 Fe1.4 Co1.6',
u'Nb1 V1 Co1',
u'Nb1 V1 Cr1',
u'Nb1 V1 Ni1',
u'Nb1.026 Zn20 Fe1.97',
u'Nb1.12 Ni26.88 Mo28',
u'Nb2 Fe1 Co3',
u'Nb3 Cr0.062 Au0.938',
u'Nb3 Fe0.062 Au0.938',
u'Nb3 Fe0.2 Pt0.8',
u'Nb3 Ir0.25 Au0.75',
u'Nb3 Os0.5 Au0.5',
u'Nb3 Pt0.5 Au0.5',
u'Nb3 Pt0.7 Au0.3',
u'Nb3 V3 Ir2',
u'Nb3 Zn1 Au1',
u'Nb6 Pd1 Pt1',
u'Nb6 Pd1 Rh1',
u'Nb6 Pt0.6 Au1.4',
u'Nb6 Pt1 Au1',
u'Nb6 Ru1 Rh1',
u'Nb6.18 Ni6.18 Mo0.64',
u'Nb6.5 Co4.55 Pt1.95',
u'Nb6.5 Fe3.25 Co3.25',
u'Nb7 Pd8.4 Rh12.6',
u'Pd0.33 Pt0.34 Au0.33',
u'Re0.12 Ni1.92 Mo5.46',
u'Re0.37 Mo1.08 Ru0.55',
u'Re12.9 Ni2.4 Mo14.7',
u'Re16.74 Ni5.58 Mo7.68',
u'Re3 Ni3 Mo8',
u'Re8.7 Ni5.7 Mo15.6',
u'Ru0.1 Ir0.43 Os0.47',
u'Ru0.34 Ir0.33 Os0.33',
u'Ru0.7 Pd0.15 Rh0.15',
u'Sc0.35 Ti0.65 Fe2',
u'Sc1 Cd1 Ni4',
u'Sc1 Fe1.5 Ru0.5',
u'Sc1 Mn0.7 Ni1.3',
u'Sc1 Mn1 Cr1',
u'Sc1 Ni4 Au1',
u'Sc1 Zn1 Cu1',
u'Sc1 Zn1 Pd1',
u'Sc1 Zn1 Pt1',
u'Sc3 Zn16.06 Cu2.19',
u'Sc3 Zn16.514 Cu1.486',
u'Sc3 Zn17.34 Cu0.66',
u'Ta0.038 Cr0.904 Mo0.058',
u'Ta0.066 Cr0.792 Mo0.142',
u'Ta0.167 Nb0.167 Re0.667',
u'Ta0.17 Ti0.83 Co3',
u'Ta0.17 Ti0.83 Ni3',
u'Ta0.33 Mo0.33 W0.34',
u'Ta0.33 Nb0.33 V0.34',
u'Ta0.33 Nb0.33 W0.34',
u'Ta0.33 Ti0.67 Ni3',
u'Ta0.333 Nb0.333 Mo0.333',
u'Ta0.4 Mo0.8 Ru0.8',
u'Ta0.5 Co3 Mo0.5',
u'Ta0.5 Fe2 W0.5',
u'Ta0.5 Nb0.5 Re1',
u'Ta0.5 Ni3 Mo0.5',
u'Ta0.5 Ti0.5 Fe2',
u'Ta0.75 Co2.09 Mo0.16',
u'Ta0.75 Pd2.06 Rh0.19',
u'Ta1 Co0.5 Ni2.5',
u'Ta1 Co1 Ni2',
u'Ta1 Co1.8 Pt1.2',
u'Ta1 Co4 Mo1',
u'Ta1 Cr1 Co1',
u'Ta1 Cr1 Ni1',
u'Ta1 Cu0.75 Ni2.25',
u'Ta1 Pd1.5 Rh1.5',
u'Ta1 Pd2.01 Rh0.99',
u'Ta1 Pd2.16 Rh0.84',
u'Ta1 Pd2.25 Rh0.75',
u'Ta1 Ru0.33 Pd2.67',
u'Ta1 Ru0.67 Pd2.33',
u'Ta1 Ru0.75 Pd2.25',
u'Ta1 Ru1.5 Pd1.5',
u'Ta1 Ti1 Co1',
u'Ta1 Ti1 Fe4',
u'Ta1 V1 Co1',
u'Ta1 V1 Cu1',
u'Ta1 V1 Ni1',
u'Ta1.46 Co1 Mo0.54',
u'Ta2 Cr3 Cu1',
u'Ta2 Cu0.3 Ni0.7',
u'Ta2 Mn1 V3',
u'Ta2 V3 Cu1',
u'Ta2.6 Co6.5 Mo3.9',
u'Ta3 Ni0.4 Ir0.6',
u'Ta4 Co1 Ni1',
u'Ta6.5 Cu3.25 Ni3.25',
u'Ta6.5 Ni5.85 Mo0.65',
u'Ti0.048 Cr0.144 Ni0.808',
u'Ti0.05 Mn0.6 Co0.35',
u'Ti0.092 V0.828 Fe0.08',
u'Ti0.1 Mn0.45 Fe0.45',
u'Ti0.1 Mn0.85 Co0.05',
u'Ti0.125 Nb0.125 Ni0.75',
u'Ti0.17 Cr0.21 Fe0.62',
u'Ti0.18 V0.72 Fe0.1',
u'Ti0.2 Mn0.2 V0.6',
u'Ti0.22 V0.5 Cr0.28',
u'Ti0.25 Nb0.75 Ni3',
u'Ti0.32 V0.25 Cr0.43',
u'Ti0.333 Mn0.333 V0.333',
u'Ti0.5 Ni3 Mo0.5',
u'Ti0.5 Zn0.5 Cu1',
u'Ti0.5 Zn0.5 Ni1',
u'Ti0.626 V0.141 Fe0.233',
u'Ti0.6668 Cr0.1667 Co3.1673',
u'Ti0.67 Nb0.33 Ni3',
u'Ti0.67 V0.33 Ni3',
u'Ti0.7 V0.1 Cr0.2',
u'Ti0.7 V0.15 Cr0.15',
u'Ti0.7 V0.2 Cr0.1',
u'Ti0.703 V0.078 Fe0.219',
u'Ti0.75 Zn0.25 Hg1',
u'Ti0.773 Mn0.0456 Fe0.181',
u'Ti0.7998 Co3.0659 Cu0.1333',
u'Ti0.8 Co1 Ni0.2',
u'Ti0.8 V0.05 Cr0.15',
u'Ti0.8 V0.1 Cr0.1',
u'Ti0.8 V0.13 Cr0.07',
u'Ti0.85 Mn0.15 Fe2',
u'Ti0.866 Fe0.03 Ni0.97',
u'Ti0.871 Fe0.03 Ni0.97',
u'Ti0.885 Fe0.03 Ni0.97',
u'Ti0.89 Nb0.11 Ni3',
u'Ti0.9 V0.9 Fe1.2',
u'Ti0.92 Fe0.031 Ni0.992',
u'Ti0.92 Fe0.033 Ni1.047',
u'Ti0.921 Fe0.033 Ni1.046',
u'Ti0.942 Fe0.032 Ni1.026',
u'Ti0.968 V0.086 Fe0.954',
u'Ti0.984 Fe0.033 Ni1.045',
u'Ti1 Ag1 Hg2',
u'Ti1 Cd1 Hg2',
u'Ti1 Co0.125 Ni0.875',
u'Ti1 Co0.5 Ni0.5',
u'Ti1 Co1 Ni2',
u'Ti1 Co1.5 Ni1.5',
u'Ti1 Cr1 Fe1',
u'Ti1 Cr1.6 Fe0.4',
u'Ti1 Cu0.09 Ni2.91',
u'Ti1 Cu0.159 Ni2.841',
u'Ti1 Cu0.21 Ni2.79',
u'Ti1 Cu0.5 Ni0.5',
u'Ti1 Cu1 Hg2',
u'Ti1 Cu1 Ni1',
u'Ti1 Cu1 Ni2',
u'Ti1 Cu1.71 Ni0.14',
u'Ti1 Fe0.5 Cu0.5',
u'Ti1 Fe0.5 Ni0.5',
u'Ti1 Mn1 Cr1',
u'Ti1 Mn1.2 V0.8',
u'Ti1 Mn1.48 V0.52',
u'Ti1 Nb1 Cr4',
u'Ti1 Nb1 Fe4',
u'Ti1 Ni0.33 Pt2.67',
u'Ti1 Ni0.5 Pd0.5',
u'Ti1 Ni0.95 Pd0.05',
u'Ti1 Re0.3 Ir0.7',
u'Ti1 Re0.38 Ir0.62',
u'Ti1 Re0.5 Os0.5',
u'Ti1 Re0.6 Pt0.4',
u'Ti1 V1 Fe1',
u'Ti1 Zn1 Hg2',
u'Ti1.008 V0.044 Fe0.946',
u'Ti1.016 Ni0.53 Pd0.454',
u'Ti1.023 Fe0.03 Ni0.947',
u'Ti1.04 Mn0.096 Fe0.862',
u'Ti1.144 Fe0.03 Ni0.97',
u'Ti1.5 Co0.75 Ni0.75',
u'Ti11 Ni9 Pt4',
u'Ti2 Cu0.75 Ni0.25',
u'Ti2 Fe0.5 Ni0.5',
u'Ti2 Fe0.81 Ni0.19',
u'Ti2 Ni1 Pd1',
u'Ti2.33 Ni0.77 Pt6.23',
u'Ti4 Cu1 Ag1',
u'Ti4 Fe1 Co1',
u'Ti6 Pt1 Au1',
u'V0.125 Ni0.75 Mo0.125',
u'V0.2 Cr0.2 Fe1.6',
u'V0.24 Co0.38 Ni0.38',
u'V0.24 Co0.38 Pd0.38',
u'V0.25 Cr0.25 Fe0.5',
u'V0.25 Ni0.375 Pd0.375',
u'V0.3 Cr0.1 Ni0.6',
u'V0.334 Cr0.333 Mo0.333',
u'V0.34 Re0.33 Mo0.33',
u'V0.5 Cr0.5 Fe1',
u'V0.75 Co3 Mo0.25',
u'V0.75 Co3 W0.25',
u'V0.8 Cr0.8 Fe0.4',
u'V1 Co0.36 Ni2.64',
u'V1 Co0.375 Pd2.625',
u'V1 Co0.9 Ni2.1',
u'V1 Co1.5 Ni1.5',
u'V1 Co2 Ni1',
u'V1 Co2.6 Ni0.4',
u'V1 Cr1 Co1',
u'V1 Cu0.3 Ni2.7',
u'V1 Fe0.3 Co2.7',
u'V1 Fe0.9 Co2.1',
u'V1.06 Ni0.83 Mo0.12',
u'V3 Co0.5 Rh0.5',
u'V3 Fe0.5 Ni0.5',
u'V6 Co1 Ir1',
u'V6 Co1 Ni1',
u'Y0.1 Sc0.9 Fe2',
u'Y0.1 Zr0.9 Zn2',
u'Y0.12 Zr0.88 Ni2',
u'Y0.14 Zr0.86 Ni3',
u'Y0.15 Zr0.6 Co2.25',
u'Y0.33 Zr0.67 Ni5',
u'Y0.4 Zr0.6 Co3',
u'Y0.42 Cu1 Ag0.25',
u'Y0.5 Sc0.5 Fe2',
u'Y0.5 Zr0.5 Co3',
u'Y0.5 Zr0.5 Fe2',
u'Y0.608 V0.287 Fe5.499',
u'Y0.61 V0.30056 Fe5.47944',
u'Y0.62 V0.30004 Fe5.46996',
u'Y0.8 Zr0.2 Ni5',
u'Y0.88 Fe2 Mo0.12',
u'Y0.9 Sc0.1 Ni3',
u'Y0.9 Ti0.1 Ni3',
u'Y0.92 Sc0.08 Mn2',
u'Y1 Cd1 Ni4',
u'Y1 Cd20 Ni2',
u'Y1 Co0.5 Ru1.5',
u'Y1 Co0.51 Ni2.49',
u'Y1 Co0.6 Ni0.4',
u'Y1 Co1 Ni1',
u'Y1 Co1.5 Ni1.5',
u'Y1 Co1.66 Re0.34',
u'Y1 Co10 Mo2',
u'Y1 Co2.5 Cu2.5',
u'Y1 Co2.5 Ni2.5',
u'Y1 Co3 Ni2',
u'Y1 Co3.5 Cu1.5',
u'Y1 Cr0.51 Ni2.49',
u'Y1 Cr1 Fe11',
u'Y1 Cr2 Fe10',
u'Y1 Cr3 Fe9',
u'Y1 Cr4 Fe8',
u'Y1 Cr5 Fe7',
u'Y1 Cu0.51 Ni2.49',
u'Y1 Cu0.9 Ag0.1',
u'Y1 Cu0.95 Ni0.05',
u'Y1 Cu2.5 Ni2.5',
u'Y1 Fe0.2 Co1.8',
u'Y1 Fe0.51 Ni2.49',
u'Y1 Fe0.6 Co4.4',
u'Y1 Fe0.6 Rh1.4',
u'Y1 Fe0.66 Ru1.34',
u'Y1 Fe0.8 Ru1.2',
u'Y1 Fe1 Co1',
u'Y1 Fe1 Cu1',
u'Y1 Fe1 Ni1',
u'Y1 Fe1 Ni4',
u'Y1 Fe1.5 Co1.5',
u'Y1 Fe1.5 Ni1.5',
u'Y1 Fe1.8 Ni0.2',
u'Y1 Fe10 Mo2',
u'Y1 Fe10 Re2',
u'Y1 Fe10 W2',
u'Y1 Fe10.4 Mo1.6',
u'Y1 Fe10.4 W1.6',
u'Y1 Fe10.69 Mo1.31',
u'Y1 Fe10.715 Mo1.285',
u'Y1 Fe10.72 Mo1.28',
u'Y1 Fe11 Mo1',
u'Y1 Fe11 Re1',
u'Y1 Fe11.54 Mo0.46',
u'Y1 Mn0.2 Ni2.8',
u'Y1 Mn0.51 Ni2.49',
u'Y1 Mn0.884 Re1.117',
u'Y1 Mn1 Co1',
u'Y1 Mn1 Fe1',
u'Y1 Mn1 Ni4',
u'Y1 Mn1.5 Co0.5',
u'Y1 Mn1.5 Fe0.5',
u'Y1 Mn4.8 Co7.2',
u'Y1 Mn5 Fe7',
u'Y1 Mn6 Co6',
u'Y1 Mn8 Fe4',
u'Y1 Ni0.44 Ru1.56',
u'Y1 Ni4 Au1',
u'Y1 Ti1 Co11',
u'Y1 Ti1 Fe11',
u'Y1 Ti1.08 Fe10.92',
u'Y1 V0.1 Co1.9',
u'Y1 V0.2 Co1.8',
u'Y1 V0.21 Co2.79',
u'Y1 V1.08 Fe10.92',
u'Y1 V2 Co10',
u'Y1 V2 Fe10',
u'Y1 V2.84 Co9.16',
u'Y1 Zn0.75 Au1.25',
u'Y1 Zn1 Pd1',
u'Y1 Zn20 Ru2',
u'Y1.2 Zr1.8 Co9',
u'Y1.25 Cu3 Ag0.75',
u'Y1.84 Fe21.16 Mo2.76',
u'Y10 Cd2.897 Co1.103',
u'Y10 Cd3 Ni1',
u'Y10 Cd3 Pd1',
u'Y10 Cd3 Ru1',
u'Y12 Mn23 Fe23',
u'Y2 Co14 Cu3',
u'Y2 Co3.5 Ni3.5',
u'Y2 Cr1.88 Co15.12',
u'Y2 Cr2 Fe15',
u'Y2 Cr2.24 Co14.76',
u'Y2 Cr2.28 Co14.64',
u'Y2 Cr2.7 Co14.2',
u'Y2 Cu5 Ni12',
u'Y2 Fe11.7 Co5.3',
u'Y2 Fe17.28 Mo6.72',
u'Y2 Fe21 Mo3',
u'Y2 Fe22.5 Mo1.5',
u'Y2 Fe3 Co3',
u'Y2 Fe4.8 Co12.2',
u'Y2 Mn17 Co7',
u'Y2 Mn5 Co12',
u'Y2 Ti2.38 Fe17.2',
u'Y2 V3 Fe21',
u'Y2 Zn14.84 Co2.16',
u'Y3 Co0.5 Ni0.5',
u'Y3 Mn1 Au5',
u'Y3 V1.943 Fe27.057',
u'Y4 Cd1 Ru1',
u'Y4 Fe17 Co17',
u'Y4 Mn2.6 Au10.4',
u'Y4 Mn2.7 Au10.3',
u'Y4 Mn2.8 Au10.2',
u'Y6 Cr2.03 Fe20.97',
u'Y6 Mn11.132 Fe11.868',
u'Y6 Mn14 Fe9',
u'Y7.36 Sc0.64 Mn16',
u'Y8 Co14.4 Ni1.6',
u'Zn0.2 Cd0.1 Ag0.7',
u'Zn0.2 Cu0.6 Au0.2',
u'Zn0.4 Cd0.6 Ag1',
u'Zn0.5 Cd0.5 Ag1',
u'Zn0.5 Cd0.5 Au1',
u'Zn0.6 Cu3 Ni0.4',
u'Zn1 Cd1 Pt2',
u'Zn1 Cu0.3 Ni0.7',
u'Zn1 Cu0.5 Ni0.5',
u'Zn1 Cu1 Au2',
u'Zn1 Cu2 Ni1',
u'Zn1 Pd0.5 Au0.5',
u'Zn1 Pd0.9 Au0.1',
u'Zn1.35 Cd0.15 Ag1.5',
u'Zn1.6 Cu2.4 Au4',
u'Zn10.19 Pd1.63 Au0.72',
u'Zn10.22 Pd1.42 Au0.83',
u'Zn10.52 Fe1.36 Pd1.12',
u'Zn10.54 Pd1.73 Au0.43',
u'Zn10.61 Fe0.99 Pd1.4',
u'Zn10.63 Fe0.16 Pd2.21',
u'Zn10.72 Fe0.08 Pd2.2',
u'Zn10.72 Fe0.7 Pd1.58',
u'Zn10.8 Cu0.39 Pt1.82',
u'Zn10.81 Pd1.93 Au0.27',
u'Zn10.88 Cd22.96 Au14.83',
u'Zn11 Co0.92 Pd1.08',
u'Zn12.71 Fe0.99 Ni0.99',
u'Zn2 Ag1 Au1',
u'Zn2 Cu1 Au1',
u'Zn2.667 Cd5.333 Pt4',
u'Zn4.4 Cd0.6 Pt3',
u'Zn5.2 Cu3.2 Pt1.6',
u'Zn8 Co2.5 Pd2.5',
u'Zn89 Cr4 Au10',
u'Zn89 Mo4 Au10',
u'Zn9.78 Fe2.46 Pd0.76',
u'Zn90.42 Cr4.29 Au7.88',
u'Zn91.03 Cr4.3 Au7.69',
u'Zn91.19 Cr4.5 Au6.19',
u'Zn91.306 Cr6.902 Au2.098',
u'Zn91.33 Cr4.85 Au4.59',
u'Zn91.57 Cr5.74 Au3.26',
u'Zn91.67 Cr6.24 Au2.76',
u'Zn91.75 Cr5.32 Au3.8',
u'Zn91.75 Cr5.37 Au3.79',
u'Zn91.93 Cr4.73 Au5.15',
u'Zn92.25 Cr4.57 Au5.62',
u'Zr0.1 Ti0.9 Ni3',
u'Zr0.167 Ti0.167 Mo0.666',
u'Zr0.17 Mo0.33 Ru0.5',
u'Zr0.17 Ti0.17 W0.66',
u'Zr0.2 Nb0.4 Mo0.4',
u'Zr0.3 Ti0.7 Co1',
u'Zr0.33 Ti0.67 Ni1',
u'Zr0.33 Ti0.67 Ni3',
u'Zr0.333 Ti0.333 Nb0.333',
u'Zr0.36 Ti0.64 Ni1',
u'Zr0.4 Nb0.8 Mo0.8',
u'Zr0.4 Ti0.6 Cr2',
u'Zr0.5 Nb0.5 Co2',
u'Zr0.5 Nb0.5 Fe2',
u'Zr0.5 Sc0.5 Fe2',
u'Zr0.5 Ta0.5 Co2',
u'Zr0.5 Ta0.5 Fe2',
u'Zr0.5 Ti0.5 Cr2',
u'Zr0.5 Ti0.5 Fe2',
u'Zr0.5 Ti0.5 Mn2',
u'Zr0.5 Zn0.5 Cu1',
u'Zr0.555 Mn0.315 Co2.13',
u'Zr0.6 Nb0.4 Fe2',
u'Zr0.6 Ta0.4 Fe2',
u'Zr0.6 Ti0.4 Fe2',
u'Zr0.6 Ti0.4 Mn2',
u'Zr0.64 Mn0.36 Co2',
u'Zr0.65 Nb0.35 Fe2',
u'Zr0.66 Ti0.66 Nb0.66',
u'Zr0.667 Nb1.334 Pd6.003',
u'Zr0.7 Nb0.3 Co1',
u'Zr0.7 Nb0.3 Fe2',
u'Zr0.7 Ti0.3 Mn2',
u'Zr0.73 Ta0.27 Fe2',
u'Zr0.75 Ti0.25 Fe2',
u'Zr0.79 Mn1.55 Cu0.64',
u'Zr0.8 Fe2 Mo0.2',
u'Zr0.8 Mn0.2 Co2',
u'Zr0.8 Nb0.2 Zn2',
u'Zr0.8 Ti0.2 Fe2',
u'Zr0.8 Ti0.2 Mn2',
u'Zr0.84 Ti1.15 Ni1.08',
u'Zr0.85 Fe2 Mo0.15',
u'Zr0.85 Ti0.15 Fe2',
u'Zr0.86 Ni2 Mo0.14',
u'Zr0.882 Ti1.206 Ni0.906',
u'Zr0.9 Fe2 Mo0.1',
u'Zr0.9 Nb0.6 V1.5',
u'Zr0.9 Ti0.1 Fe2',
u'Zr0.9 Ti0.1 Mn2',
u'Zr0.95 Ti0.05 Ni3',
u'Zr1 Cd1 Cu2',
u'Zr1 Co0.72 Ni0.28',
u'Zr1 Co0.8 Ni0.2',
u'Zr1 Co1 Ni1',
u'Zr1 Co1 Re1',
u'Zr1 Co1.14 Re0.86',
u'Zr1 Co1.63 Mo0.37',
u'Zr1 Cr0.5 Fe1.5',
u'Zr1 Cr0.6 Fe1.4',
u'Zr1 Cr0.8 Fe1.2',
u'Zr1 Cr0.8 Ni1.2',
u'Zr1 Cr1 Co1',
u'Zr1 Cr1 Cu1',
u'Zr1 Cr1 Fe1',
u'Zr1 Cr1 Mo1',
u'Zr1 Cr1 Ni1',
u'Zr1 Cr1 W1',
u'Zr1 Cr1.2 Ni0.8',
u'Zr1 Cr1.42 Co0.58',
u'Zr1 Cr1.42 Ni0.58',
u'Zr1 Cr1.44 Fe0.56',
u'Zr1 Cr1.52 Fe0.48',
u'Zr1 Cr1.64 Ni0.36',
u'Zr1 Cr1.66 Cu0.34',
u'Zr1 Cr1.74 Fe0.26',
u'Zr1 Cr1.78 Co0.22',
u'Zr1 Cr1.8 Co0.2',
u'Zr1 Cu1 Hg2',
u'Zr1 Cu4 Ag1',
u'Zr1 Fe1 Co1',
u'Zr1 Fe1 Mo1',
u'Zr1 Fe1 Re1',
u'Zr1 Fe1.2 Ni0.8',
u'Zr1 Fe1.88 Mo0.12',
u'Zr1 Mn0.36 Cr1.64',
u'Zr1 Mn0.6 Fe1.4',
u'Zr1 Mn0.6 V1.4',
u'Zr1 Mn0.66 Fe1.34',
u'Zr1 Mn0.7 Ni1.3',
u'Zr1 Mn0.74 Co1.26',
u'Zr1 Mn0.86 Ni1.14',
u'Zr1 Mn1 Cr1',
u'Zr1 Mn1 Fe1',
u'Zr1 Mn1 Ni1',
u'Zr1 Mn1 V1',
u'Zr1 Mn1.14 Co0.86',
u'Zr1 Mn1.14 V0.86',
u'Zr1 Mn1.2 Fe0.8',
u'Zr1 Mn1.42 Co0.58',
u'Zr1 Mn1.42 Fe0.58',
u'Zr1 Mn1.42 Ni0.58',
u'Zr1 Mn1.44 Co0.56',
u'Zr1 Mn1.6 Co0.4',
u'Zr1 Mn1.6 V0.4',
u'Zr1 Mn1.8 Fe0.2',
u'Zr1 Mn1.8 Ni0.2',
u'Zr1 Mo1 W1',
u'Zr1 Nb0.9 Mo1.1',
u'Zr1 Nb1 Co4',
u'Zr1 Nb1 Cr4',
u'Zr1 Pd1.5 Rh1.5',
u'Zr1 Sc1 Fe4',
u'Zr1 Ta1 Cr4',
u'Zr1 Ti1 Au1',
u'Zr1 Ti1 Co4',
u'Zr1 Ti1 Cr4',
u'Zr1 Ti1 Cu1',
u'Zr1 Ti1 Mn4',
u'Zr1 Ti1 Mo4',
u'Zr1 Ti1 Ni1',
u'Zr1 Ti1 Pd1',
u'Zr1 Ti1 Pt1',
u'Zr1 Ti1 Rh1',
u'Zr1 Ti1 W4',
u'Zr1 Ti2 Ni9',
u'Zr1 V0.2 Fe1.8',
u'Zr1 V0.24 Co1.76',
u'Zr1 V0.24 Fe1.76',
u'Zr1 V0.26 Fe1.74',
u'Zr1 V0.48 Co1.52',
u'Zr1 V0.5 Re1.5',
u'Zr1 V0.7 Ni1.3',
u'Zr1 V0.74 Ni1.26',
u'Zr1 V0.8 Co1.2',
u'Zr1 V1 Co1',
u'Zr1 V1 Cr1',
u'Zr1 V1 Fe1',
u'Zr1 V1 Mo1',
u'Zr1 V1 Ni1',
u'Zr1 V1 W1',
u'Zr1 V1.04 Ni0.96',
u'Zr1 V1.17 Co0.83',
u'Zr1 V1.2 Co0.8',
u'Zr1 V1.4 Co0.6',
u'Zr1 V1.5 Fe0.5',
u'Zr1 V1.8 Ni0.2',
u'Zr1 V1.82 Co0.18',
u'Zr1 Zn1 Cu2',
u'Zr1 Zn1 Ni4',
u'Zr1.5 Zn0.5 Cu1',
u'Zr1.7 Ni26.3 Mo28',
u'Zr10 Ir3 Pt3',
u'Zr2 Ag0.25 Pd0.75',
u'Zr2 Co0.7 Cu0.3',
u'Zr2 Co0.75 Cu0.25',
u'Zr2 Co0.8 Cu0.2',
u'Zr2 Co0.85 Cu0.15',
u'Zr2 Co0.9 Cu0.1',
u'Zr2 Co0.95 Cu0.05',
u'Zr2 Co1 Mo3',
u'Zr2 Co3 Mo1',
u'Zr2 Cr1 Co3',
u'Zr2 Cr1 Fe3',
u'Zr2 Cr1.6 Fe2.4',
u'Zr2 Cu0.38 Ni0.62',
u'Zr2 Cu3 Ni7',
u'Zr2 Fe0.5 Ni0.5',
u'Zr2 Ni0.5 Mo0.5',
u'Zr2 V1 Ni3',
u'Zr2 V3 Ru1',
u'Zr2 Zn0.5 Ag0.5',
u'Zr2.98 Ti2.8 Cu6.22',
u'Zr3 Ti1 Cu2',
u'Zr3 Ti1 Zn8',
u'Zr3.29 Ti3.33 Cu5.38',
u'Zr4 Co1 Ni1',
u'Zr4 Co2.72 Ni1.28',
u'Zr4 Fe1 Co1',
u'Zr5 Ir2 Os1',
u'Zr5.6 Ta2.4 Fe16',
u'Zr5.6 Ti2.4 Zn16',
u'Zr6 Zn16 Cu7',
u'Zr6.4 Ti1.6 Fe16',
u'Zr7 Cu5 Ni5',
u'Zr7.2 Co2.4 Mo14.4',
u'Zr7.2 Cr14.4 Fe2.4',
u'Zr7.2 Cr4.8 Co12',
u'Zr7.92 Fe4.08 Co12',
u'Zr7.92 V15.12 Co0.96',
u'Zr7.98 V10.64 Fe5.32',
u'Zr7.98 V5.32 Ni10.64',
u'Zr8 Fe1.6 Mo14.4',
u'Zr8 Mn3.2 Fe12.8',
u'Zr8 V13.6 Fe2.4',
u'Zr8 V6.4 Ni9.6',
u'Zr9 Co1 Mo4',
u'Zr9 Fe1 Mo4',
u'Zr9 Ni1 Mo4'}
Content source: 3juholee/materialproject_ml
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