Unnamed: 0.1 int64 0 27.1k | Unnamed: 0 int64 1 45.2k | material_id stringlengths 4 10 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 17.9 | pretty_formula stringlengths 1 18 | e_above_hull float64 0 0.08 | elements stringlengths 5 40 | cif stringlengths 692 1.73k | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | cif.conv stringlengths 696 5.07k |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,800 | 15,453 | mp-865915 | -0.30629 | 0 | Li2AcPb | 0 | ['Ac', 'Li', 'Pb'] | # generated using pymatgen
data_Li2AcPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19780336
_cell_length_b 5.19780336
_cell_length_c 5.19780336
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Li2AcPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35080401
_cell_length_b 7.35080401
_cell_length_c 7.35080401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,801 | 5,312 | mp-2490 | -0.409839 | 1.6843 | GaP | 0 | ['Ga', 'P'] | # generated using pymatgen
data_GaP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89354207
_cell_length_b 3.89354207
_cell_length_c 3.89354207
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaP... | 216 | 216 | # generated using pymatgen
data_GaP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50630000
_cell_length_b 5.50630000
_cell_length_c 5.50630000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaP... |
26,802 | 38,995 | mvc-5434 | -1.081329 | 0 | Zn(CuO2)2 | 0.048332 | ['Cu', 'O', 'Zn'] | # generated using pymatgen
data_Zn(CuO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95032381
_cell_length_b 5.95032381
_cell_length_c 5.89691560
_cell_angle_alpha 60.42761855
_cell_angle_beta 60.42761855
_cell_angle_gamma 59.31119305
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Zn(CuO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.34184400
_cell_length_b 5.88826600
_cell_length_c 5.89691560
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.60463152
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,803 | 44,116 | mp-1174001 | -1.848015 | 0 | Li5Mn(CoO4)2 | 0.075471 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li5Mn(CoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90796400
_cell_length_b 4.97136800
_cell_length_c 5.07106476
_cell_angle_alpha 71.59213750
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 10 | 10 | # generated using pymatgen
data_Li5Mn(CoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97136800
_cell_length_b 5.90796400
_cell_length_c 5.07106476
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.40786250
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,804 | 10,695 | mp-13508 | -0.769193 | 0 | Er4In(NiGe2)2 | 0 | ['Er', 'Ge', 'In', 'Ni'] | # generated using pymatgen
data_Er4In(NiGe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98703074
_cell_length_b 7.98703074
_cell_length_c 7.01254989
_cell_angle_alpha 72.02920310
_cell_angle_beta 72.02920310
_cell_angle_gamma 30.56043357
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_Er4In(NiGe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.40935399
_cell_length_b 4.20980400
_cell_length_c 7.01254989
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.65318904
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
26,805 | 6,778 | mp-20084 | -0.728802 | 0 | GdRh2 | 0 | ['Gd', 'Rh'] | # generated using pymatgen
data_GdRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37229610
_cell_length_b 5.37229610
_cell_length_c 5.37229610
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 227 | 227 | # generated using pymatgen
data_GdRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59757401
_cell_length_b 7.59757401
_cell_length_c 7.59757401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
26,806 | 27,307 | mp-19785 | -2.858116 | 1.5029 | HoFeO3 | 0.012266 | ['Fe', 'Ho', 'O'] | # generated using pymatgen
data_HoFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31299900
_cell_length_b 5.63902800
_cell_length_c 7.70051500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_HoFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31299900
_cell_length_b 5.63902800
_cell_length_c 7.70051500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,807 | 11,936 | mp-861507 | -1.009157 | 0 | ScAlIr2 | 0 | ['Sc', 'Al', 'Ir'] | # generated using pymatgen
data_ScAlIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41843309
_cell_length_b 4.41843309
_cell_length_c 4.41843309
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_ScAlIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24860800
_cell_length_b 6.24860800
_cell_length_c 6.24860800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,808 | 2,670 | mp-1217052 | -1.389271 | 0 | Ti6P2O | 0 | ['O', 'P', 'Ti'] | # generated using pymatgen
data_Ti6P2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18558525
_cell_length_b 5.18558525
_cell_length_c 7.73342082
_cell_angle_alpha 88.72366209
_cell_angle_beta 88.72366209
_cell_angle_gamma 37.02173364
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Ti6P2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.83460200
_cell_length_b 3.29268600
_cell_length_c 7.73342082
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.34598643
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,809 | 22,795 | mp-20545 | -0.442811 | 0 | Cu3AsS4 | 0.003808 | ['Cu', 'As', 'S'] | # generated using pymatgen
data_Cu3AsS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30862000
_cell_length_b 5.30862000
_cell_length_c 5.30862000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 215 | 215 | # generated using pymatgen
data_Cu3AsS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30862000
_cell_length_b 5.30862000
_cell_length_c 5.30862000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,810 | 20,753 | mp-13033 | -1.085862 | 2.3181 | MgTe | 0.000774 | ['Mg', 'Te'] | # generated using pymatgen
data_MgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60511211
_cell_length_b 4.60511211
_cell_length_c 4.60511211
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | 216 | 216 | # generated using pymatgen
data_MgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51261200
_cell_length_b 6.51261200
_cell_length_c 6.51261200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... |
26,811 | 22,054 | mp-1105201 | -1.538309 | 1.1338 | Ba5In4Te4S7 | 0.002553 | ['Ba', 'In', 'S', 'Te'] | # generated using pymatgen
data_Ba5In4Te4S7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 20.39703509
_cell_length_b 20.39703509
_cell_length_c 20.39703509
_cell_angle_alpha 167.48533087
_cell_angle_beta 158.89842676
_cell_angle_gamma 24.60714215
_symmetry_Int_Tables_number 1
_chemical_formula_str... | 44 | 44 | # generated using pymatgen
data_Ba5In4Te4S7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44631400
_cell_length_b 7.46968000
_cell_length_c 39.85712401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,812 | 30,112 | mp-1186768 | -0.235615 | 0 | Ta2FeRu | 0.019575 | ['Fe', 'Ru', 'Ta'] | # generated using pymatgen
data_Ta2FeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43496666
_cell_length_b 4.43496666
_cell_length_c 4.43496666
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Ta2FeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27199000
_cell_length_b 6.27199000
_cell_length_c 6.27199000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,813 | 24,340 | mp-24155 | -0.662947 | 0 | ZrH2 | 0.006796 | ['Zr', 'H'] | # generated using pymatgen
data_ZrH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40715867
_cell_length_b 3.40715867
_cell_length_c 3.40715867
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... | 225 | 225 | # generated using pymatgen
data_ZrH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81845000
_cell_length_b 4.81845000
_cell_length_c 4.81845000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... |
26,814 | 8,950 | mp-864925 | -0.346161 | 0 | NdMgZn2 | 0 | ['Nd', 'Mg', 'Zn'] | # generated using pymatgen
data_NdMgZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95175282
_cell_length_b 4.95175282
_cell_length_c 4.95175282
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_NdMgZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00283600
_cell_length_b 7.00283600
_cell_length_c 7.00283600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,815 | 4,147 | mp-1206409 | -0.518339 | 0 | K(FeP)2 | 0 | ['Fe', 'K', 'P'] | # generated using pymatgen
data_K(FeP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84972832
_cell_length_b 6.84972832
_cell_length_c 6.84972832
_cell_angle_alpha 147.73705019
_cell_angle_beta 147.73705019
_cell_angle_gamma 46.27368472
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_K(FeP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80629000
_cell_length_b 3.80629000
_cell_length_c 12.59759600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,816 | 23,035 | mp-1080730 | -3.076198 | 1.5061 | Sr2ZrMnO6 | 0.00486 | ['Mn', 'O', 'Sr', 'Zr'] | # generated using pymatgen
data_Sr2ZrMnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67555015
_cell_length_b 5.67555015
_cell_length_c 9.83034123
_cell_angle_alpha 73.22134512
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 225 | 225 | # generated using pymatgen
data_Sr2ZrMnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02644000
_cell_length_b 8.02644000
_cell_length_c 8.02644000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,817 | 21,871 | mp-567259 | -0.837323 | 2.4036 | CdI2 | 0.001785 | ['Cd', 'I'] | # generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34690511
_cell_length_b 4.34690511
_cell_length_c 7.30020200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998650
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 164 | 164 | # generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34690511
_cell_length_b 4.34690511
_cell_length_c 7.30020200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,818 | 38,076 | mp-1114350 | -2.929761 | 0 | KRb2MnF6 | 0.045925 | ['F', 'K', 'Mn', 'Rb'] | # generated using pymatgen
data_KRb2MnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38291200
_cell_length_b 6.38291205
_cell_length_c 6.38291215
_cell_angle_alpha 60.00000069
_cell_angle_beta 60.00000077
_cell_angle_gamma 60.00000026
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_KRb2MnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02680085
_cell_length_b 9.02680085
_cell_length_c 9.02680085
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,819 | 26,188 | mp-1219708 | -0.500579 | 0 | PrYAl4 | 0.010381 | ['Al', 'Pr', 'Y'] | # generated using pymatgen
data_PrYAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64789804
_cell_length_b 5.64789804
_cell_length_c 5.64789804
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 216 | 216 | # generated using pymatgen
data_PrYAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98733401
_cell_length_b 7.98733401
_cell_length_c 7.98733401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,820 | 28,736 | mp-1222995 | -0.495044 | 0 | LaMnCuGe2 | 0.015284 | ['Cu', 'Ge', 'La', 'Mn'] | # generated using pymatgen
data_LaMnCuGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09064608
_cell_length_b 6.09064608
_cell_length_c 6.09064608
_cell_angle_alpha 139.47570377
_cell_angle_beta 139.47570377
_cell_angle_gamma 58.65023960
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 119 | 119 | # generated using pymatgen
data_LaMnCuGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21857600
_cell_length_b 4.21857600
_cell_length_c 10.62031599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,821 | 9,024 | mp-1071078 | -0.55498 | 0 | NiSe2 | 0 | ['Ni', 'Se'] | # generated using pymatgen
data_NiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71341300
_cell_length_b 4.90095200
_cell_length_c 5.97545500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 58 | 58 | # generated using pymatgen
data_NiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71341300
_cell_length_b 4.90095200
_cell_length_c 5.97545500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
26,822 | 41,220 | mp-1220840 | -2.88072 | 0 | Nb3Pb2O7F5 | 0.060843 | ['F', 'Nb', 'O', 'Pb'] | # generated using pymatgen
data_Nb3Pb2O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.00995956
_cell_length_b 17.00995956
_cell_length_c 17.00995956
_cell_angle_alpha 166.88495912
_cell_angle_beta 166.62531078
_cell_angle_gamma 18.77414383
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 44 | 44 | # generated using pymatgen
data_Nb3Pb2O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88509600
_cell_length_b 3.96166600
_cell_length_c 33.56435801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,823 | 23,739 | mp-1226290 | -0.194696 | 0 | CrFe3As4 | 0.005958 | ['As', 'Cr', 'Fe'] | # generated using pymatgen
data_CrFe3As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45428600
_cell_length_b 5.38382509
_cell_length_c 6.03762642
_cell_angle_alpha 90.07575741
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 6 | 6 | # generated using pymatgen
data_CrFe3As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38382509
_cell_length_b 3.45428600
_cell_length_c 6.03762642
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.07575741
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,824 | 36,536 | mp-1094862 | -0.068092 | 0 | MgZn | 0.039953 | ['Mg', 'Zn'] | # generated using pymatgen
data_MgZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05551100
_cell_length_b 3.05551100
_cell_length_c 3.83287800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | 123 | 123 | # generated using pymatgen
data_MgZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05551100
_cell_length_b 3.05551100
_cell_length_c 3.83287800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... |
26,825 | 31,831 | mp-2511 | -2.659697 | 4.3996 | PbF2 | 0.022698 | ['F', 'Pb'] | # generated using pymatgen
data_PbF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94636000
_cell_length_b 6.56594500
_cell_length_c 7.80794000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb... | 62 | 62 | # generated using pymatgen
data_PbF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94636000
_cell_length_b 6.56594500
_cell_length_c 7.80794000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb... |
26,826 | 7,703 | mp-1227698 | -0.4634 | 0 | Ca2TlIn | 0 | ['Ca', 'In', 'Tl'] | # generated using pymatgen
data_Ca2TlIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89690400
_cell_length_b 3.89690400
_cell_length_c 7.63891400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_Ca2TlIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89690400
_cell_length_b 3.89690400
_cell_length_c 7.63891400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,827 | 11,294 | mp-22811 | -0.668613 | 0.1986 | InCuSe2 | 0 | ['In', 'Cu', 'Se'] | # generated using pymatgen
data_InCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21839105
_cell_length_b 7.21839105
_cell_length_c 7.21839105
_cell_angle_alpha 131.94126056
_cell_angle_beta 131.94126056
_cell_angle_gamma 70.32181527
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 122 | 122 | # generated using pymatgen
data_InCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87872800
_cell_length_b 5.87872800
_cell_length_c 11.80261800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,828 | 24,758 | mp-1227446 | -2.767706 | 0 | Ca2SmYMn4O12 | 0.007837 | ['Ca', 'Mn', 'O', 'Sm', 'Y'] | # generated using pymatgen
data_Ca2SmYMn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61608000
_cell_length_b 5.40664600
_cell_length_c 5.54239274
_cell_angle_alpha 89.81547114
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 6 | 6 | # generated using pymatgen
data_Ca2SmYMn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40664600
_cell_length_b 7.61608000
_cell_length_c 5.54239274
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.18452886
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,829 | 18,169 | mp-1208851 | -2.827446 | 1.5339 | Sr2GdBiO6 | 0 | ['Bi', 'Gd', 'O', 'Sr'] | # generated using pymatgen
data_Sr2GdBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97954128
_cell_length_b 6.14159700
_cell_length_c 8.55320450
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00835820
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2GdBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97954128
_cell_length_b 6.14159700
_cell_length_c 10.43538689
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.95176506
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,830 | 11,526 | mp-1077915 | -0.304756 | 0 | HgAsPd5 | 0 | ['As', 'Hg', 'Pd'] | # generated using pymatgen
data_HgAsPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05978200
_cell_length_b 4.05978200
_cell_length_c 7.16660300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_HgAsPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05978200
_cell_length_b 4.05978200
_cell_length_c 7.16660300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,831 | 14,482 | mp-9782 | -0.574848 | 0.0039 | KAg3Se2 | 0 | ['Ag', 'K', 'Se'] | # generated using pymatgen
data_KAg3Se2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.66652504
_cell_length_b 8.66652504
_cell_length_c 8.97282533
_cell_angle_alpha 65.44424986
_cell_angle_beta 65.44424986
_cell_angle_gamma 29.62137541
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_KAg3Se2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.75717201
_cell_length_b 4.43078000
_cell_length_c 8.97282533
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.45869200
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,832 | 22,924 | mp-754472 | -2.75871 | 2.5786 | HoCuO2 | 0.004017 | ['Cu', 'Ho', 'O'] | # generated using pymatgen
data_HoCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07645520
_cell_length_b 6.07645520
_cell_length_c 6.07645454
_cell_angle_alpha 33.80122090
_cell_angle_beta 33.80122090
_cell_angle_gamma 33.80122481
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_HoCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53300170
_cell_length_b 3.53300170
_cell_length_c 17.17158831
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,833 | 14,589 | mp-1183214 | -0.040548 | 0 | Ag3Au | 0 | ['Ag', 'Au'] | # generated using pymatgen
data_Ag3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08640180
_cell_length_b 5.08640180
_cell_length_c 5.08640180
_cell_angle_alpha 131.54593316
_cell_angle_beta 131.54593316
_cell_angle_gamma 70.94712848
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Ag3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17444400
_cell_length_b 4.17444400
_cell_length_c 8.28456201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
26,834 | 35,085 | mp-1173107 | -3.005707 | 0 | TaVO4 | 0.035255 | ['O', 'Ta', 'V'] | # generated using pymatgen
data_TaVO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65096542
_cell_length_b 5.64934674
_cell_length_c 5.64933815
_cell_angle_alpha 73.11142652
_cell_angle_beta 66.78612348
_cell_angle_gamma 108.36804223
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_TaVO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61276025
_cell_length_b 6.72954372
_cell_length_c 3.10972858
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,835 | 14,389 | mp-5840 | -3.344621 | 3.9435 | LiScO2 | 0 | ['Li', 'Sc', 'O'] | # generated using pymatgen
data_LiScO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56395960
_cell_length_b 5.56395960
_cell_length_c 5.56395960
_cell_angle_alpha 135.48245604
_cell_angle_beta 135.48245604
_cell_angle_gamma 64.78148926
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_LiScO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21514800
_cell_length_b 4.21514800
_cell_length_c 9.39657600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,836 | 15,231 | mp-1540438 | -1.205475 | 0.9995 | Mg(CrS2)2 | 0 | ['Cr', 'Mg', 'S'] | # generated using pymatgen
data_Mg(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21454261
_cell_length_b 7.21454261
_cell_length_c 7.21454261
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 227 | 227 | # generated using pymatgen
data_Mg(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.20290401
_cell_length_b 10.20290401
_cell_length_c 10.20290401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,837 | 26,413 | mp-753395 | -2.324604 | 1.3926 | FePO4 | 0.009882 | ['Fe', 'O', 'P'] | # generated using pymatgen
data_FePO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24396800
_cell_length_b 5.25249132
_cell_length_c 6.38644211
_cell_angle_alpha 86.32131737
_cell_angle_beta 106.78966509
_cell_angle_gamma 111.17333879
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_FePO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24396800
_cell_length_b 5.25249132
_cell_length_c 6.38644211
_cell_angle_alpha 86.32131737
_cell_angle_beta 106.78966509
_cell_angle_gamma 111.17333879
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,838 | 12,901 | mp-7469 | -1.232458 | 1.2914 | NaCuO | 0 | ['Na', 'Cu', 'O'] | # generated using pymatgen
data_NaCuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70111263
_cell_length_b 6.70111263
_cell_length_c 6.70111263
_cell_angle_alpha 97.14769953
_cell_angle_beta 97.14769953
_cell_angle_gamma 138.68964782
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_NaCuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86763800
_cell_length_b 8.86763800
_cell_length_c 4.72754000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
26,839 | 20,147 | mp-1216688 | -1.172265 | 0 | U2AsS | 0.000357 | ['As', 'S', 'U'] | # generated using pymatgen
data_U2AsS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74415158
_cell_length_b 6.74415158
_cell_length_c 6.74415187
_cell_angle_alpha 34.82643846
_cell_angle_beta 34.82643846
_cell_angle_gamma 34.82643523
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | 166 | 166 | # generated using pymatgen
data_U2AsS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03652222
_cell_length_b 4.03652222
_cell_length_c 18.98609227
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,840 | 16 | mp-1111239 | -1.892143 | 3.8149 | K2NaBiCl6 | 0 | ['Bi', 'Cl', 'K', 'Na'] | # generated using pymatgen
data_K2NaBiCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70574423
_cell_length_b 7.70574423
_cell_length_c 7.70574423
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_K2NaBiCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.89756800
_cell_length_b 10.89756800
_cell_length_c 10.89756800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,841 | 21,360 | mp-556582 | -0.824697 | 0.5519 | Cu(IO3)2 | 0.001443 | ['Cu', 'I', 'O'] | # generated using pymatgen
data_Cu(IO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34412800
_cell_length_b 5.10454400
_cell_length_c 8.36550492
_cell_angle_alpha 87.70655781
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Cu(IO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10454400
_cell_length_b 6.34412800
_cell_length_c 8.36550492
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.29344219
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,842 | 3,983 | mp-976589 | -0.074812 | 0 | NaIn3 | 0 | ['In', 'Na'] | # generated using pymatgen
data_NaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73392300
_cell_length_b 4.73392300
_cell_length_c 4.73392300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 221 | 221 | # generated using pymatgen
data_NaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73392300
_cell_length_b 4.73392300
_cell_length_c 4.73392300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
26,843 | 39,236 | mp-1224793 | -0.0455 | 0 | FePd2 | 0.050726 | ['Fe', 'Pd'] | # generated using pymatgen
data_FePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71636157
_cell_length_b 2.71636157
_cell_length_c 6.49234900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998950
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_FePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71636157
_cell_length_b 2.71636157
_cell_length_c 6.49234900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,844 | 36,557 | mp-1104274 | -0.334989 | 0 | Sm4(FeB2)3 | 0.040263 | ['B', 'Fe', 'Sm'] | # generated using pymatgen
data_Sm4(FeB2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35748242
_cell_length_b 5.35748300
_cell_length_c 8.06470229
_cell_angle_alpha 70.60029858
_cell_angle_beta 70.60029805
_cell_angle_gamma 60.00000261
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Sm4(FeB2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35748267
_cell_length_b 5.35748267
_cell_length_c 22.34383500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,845 | 5,575 | mp-1103735 | -2.978267 | 4.6991 | Rb3Lu(PO4)2 | 0 | ['Lu', 'O', 'P', 'Rb'] | # generated using pymatgen
data_Rb3Lu(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65804900
_cell_length_b 5.65804997
_cell_length_c 8.29642000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000018
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 164 | 164 | # generated using pymatgen
data_Rb3Lu(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65804949
_cell_length_b 5.65804949
_cell_length_c 8.29642000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,846 | 29,527 | mp-1079648 | -0.541868 | 0 | U(GeRh)2 | 0.018276 | ['Ge', 'Rh', 'U'] | # generated using pymatgen
data_U(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20445300
_cell_length_b 4.20445300
_cell_length_c 10.18036100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 129 | 129 | # generated using pymatgen
data_U(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20445300
_cell_length_b 4.20445300
_cell_length_c 10.18036100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,847 | 43,770 | mp-1518656 | -3.61506 | 2.4601 | SrCaHfTiO6 | 0.071534 | ['Ca', 'Hf', 'O', 'Sr', 'Ti'] | # generated using pymatgen
data_SrCaHfTiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68306360
_cell_length_b 5.68306360
_cell_length_c 5.68306360
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 216 | 216 | # generated using pymatgen
data_SrCaHfTiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03706562
_cell_length_b 8.03706562
_cell_length_c 8.03706562
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,848 | 41,024 | mp-1027714 | -1.068556 | 0.6462 | Mo3W(SeS)4 | 0.059318 | ['Mo', 'S', 'Se', 'W'] | # generated using pymatgen
data_Mo3W(SeS)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25346222
_cell_length_b 3.25346222
_cell_length_c 36.86057200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000454
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 156 | 156 | # generated using pymatgen
data_Mo3W(SeS)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25346222
_cell_length_b 3.25346222
_cell_length_c 36.86057200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,849 | 36,599 | mp-1173996 | -1.733959 | 0 | Li5Co3O8 | 0.039947 | ['Co', 'Li', 'O'] | # generated using pymatgen
data_Li5Co3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84107900
_cell_length_b 4.96749600
_cell_length_c 5.06098776
_cell_angle_alpha 70.89312037
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_Li5Co3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96749600
_cell_length_b 5.84107900
_cell_length_c 5.06098776
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.10687963
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,850 | 35,479 | mp-862324 | -0.436816 | 0 | Sc2GaTc | 0.035818 | ['Sc', 'Ga', 'Tc'] | # generated using pymatgen
data_Sc2GaTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65142902
_cell_length_b 4.65142902
_cell_length_c 4.65142902
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Sc2GaTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57811400
_cell_length_b 6.57811400
_cell_length_c 6.57811400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,851 | 13,558 | mp-1095160 | -0.70953 | 0 | Eu2InPd2 | 0 | ['Eu', 'In', 'Pd'] | # generated using pymatgen
data_Eu2InPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97354358
_cell_length_b 5.97354358
_cell_length_c 8.36825011
_cell_angle_alpha 77.50269424
_cell_angle_beta 77.50269424
_cell_angle_gamma 59.48590562
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Eu2InPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.37317600
_cell_length_b 5.92706600
_cell_length_c 8.36825011
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.43176859
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,852 | 21,334 | mp-32616 | -0.963093 | 2.3169 | Ga2S3 | 0.001172 | ['Ga', 'S'] | # generated using pymatgen
data_Ga2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55370233
_cell_length_b 6.55370233
_cell_length_c 6.43139611
_cell_angle_alpha 81.02403184
_cell_angle_beta 81.02403184
_cell_angle_gamma 120.84345094
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 9 | 9 | # generated using pymatgen
data_Ga2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46997400
_cell_length_b 11.39927600
_cell_length_c 6.43139611
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.42593379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,853 | 15,713 | mp-1227661 | -0.370838 | 0 | Ca2Zn3Ga | 0 | ['Ca', 'Ga', 'Zn'] | # generated using pymatgen
data_Ca2Zn3Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78596381
_cell_length_b 5.78596381
_cell_length_c 7.37820800
_cell_angle_alpha 50.86221203
_cell_angle_beta 50.86221203
_cell_angle_gamma 46.31404708
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_Ca2Zn3Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.63958399
_cell_length_b 4.55068800
_cell_length_c 7.37820800
_cell_angle_alpha 90.00000000
_cell_angle_beta 133.35355154
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,854 | 23,932 | mp-7709 | -2.597281 | 3.5601 | ZnF2 | 0.005705 | ['Zn', 'F'] | # generated using pymatgen
data_ZnF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76176700
_cell_length_b 5.24874900
_cell_length_c 5.78271800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn... | 60 | 60 | # generated using pymatgen
data_ZnF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76176700
_cell_length_b 5.24874900
_cell_length_c 5.78271800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn... |
26,855 | 31,579 | mp-1178551 | -2.889157 | 2.4432 | Ba3(ClO)2 | 0.023377 | ['Ba', 'Cl', 'O'] | # generated using pymatgen
data_Ba3(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13508400
_cell_length_b 7.59243100
_cell_length_c 7.62629505
_cell_angle_alpha 63.97415737
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Ba3(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59243100
_cell_length_b 8.13508400
_cell_length_c 7.62629505
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.02584263
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,856 | 41,646 | mp-1205361 | -0.345441 | 1.2217 | Te6RhI3 | 0.061298 | ['I', 'Rh', 'Te'] | # generated using pymatgen
data_Te6RhI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.09793882
_cell_length_b 10.09793882
_cell_length_c 10.09793924
_cell_angle_alpha 109.57181871
_cell_angle_beta 109.57181871
_cell_angle_gamma 109.57180982
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 167 | 167 | # generated using pymatgen
data_Te6RhI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.50009462
_cell_length_b 16.50009462
_cell_length_c 10.04768399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,857 | 25,195 | mp-1217980 | -0.263538 | 0 | TaBe4Mo | 0.008573 | ['Be', 'Mo', 'Ta'] | # generated using pymatgen
data_TaBe4Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54565860
_cell_length_b 4.54565860
_cell_length_c 7.40105300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000876
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_TaBe4Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54565860
_cell_length_b 4.54565860
_cell_length_c 7.40105300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,858 | 234 | mp-13682 | -0.605298 | 0.6537 | PdS2 | 0 | ['Pd', 'S'] | # generated using pymatgen
data_PdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50170600
_cell_length_b 5.59391900
_cell_length_c 8.60708800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pd... | 61 | 61 | # generated using pymatgen
data_PdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50170600
_cell_length_b 5.59391900
_cell_length_c 8.60708800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pd... |
26,859 | 21,660 | mp-1207873 | -1.928546 | 1.6571 | VAg(SO4)2 | 0.001714 | ['Ag', 'O', 'S', 'V'] | # generated using pymatgen
data_VAg(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87127839
_cell_length_b 4.87127839
_cell_length_c 7.43785124
_cell_angle_alpha 88.77202784
_cell_angle_beta 88.77202784
_cell_angle_gamma 65.21732762
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_VAg(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.20684651
_cell_length_b 5.25024600
_cell_length_c 7.43785124
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.45780275
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,860 | 34,417 | mp-754937 | -3.291513 | 0 | LiTi3O6 | 0.031323 | ['Li', 'O', 'Ti'] | # generated using pymatgen
data_LiTi3O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27377196
_cell_length_b 7.27377196
_cell_length_c 5.00309931
_cell_angle_alpha 87.54819484
_cell_angle_beta 87.54819484
_cell_angle_gamma 23.50127670
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_LiTi3O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.24267400
_cell_length_b 2.96264600
_cell_length_c 5.00309931
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.50432009
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,861 | 17,443 | mp-864623 | -0.146574 | 0 | ZnCuAu2 | 0 | ['Zn', 'Cu', 'Au'] | # generated using pymatgen
data_ZnCuAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44901404
_cell_length_b 4.44901404
_cell_length_c 4.44901404
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_ZnCuAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29185599
_cell_length_b 6.29185599
_cell_length_c 6.29185599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,862 | 37,260 | mp-1226027 | 0.042555 | 0 | CoIr | 0.042555 | ['Co', 'Ir'] | # generated using pymatgen
data_CoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43659794
_cell_length_b 4.43659794
_cell_length_c 4.43659819
_cell_angle_alpha 34.73201739
_cell_angle_beta 34.73201739
_cell_angle_gamma 34.73201967
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co... | 166 | 166 | # generated using pymatgen
data_CoIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.64842395
_cell_length_b 2.64842395
_cell_length_c 12.49432552
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,863 | 14,339 | mp-3469 | -0.60558 | 0 | ZrNi2Sb | 0 | ['Zr', 'Ni', 'Sb'] | # generated using pymatgen
data_ZrNi2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23521631
_cell_length_b 4.23521631
_cell_length_c 8.30677200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000478
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_ZrNi2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23521631
_cell_length_b 4.23521631
_cell_length_c 8.30677200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,864 | 39,305 | mp-16451 | -1.935681 | 0 | BaPr2CoS5 | 0.050632 | ['Ba', 'Co', 'Pr', 'S'] | # generated using pymatgen
data_BaPr2CoS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78495287
_cell_length_b 8.78495287
_cell_length_c 8.78495287
_cell_angle_alpha 126.36457257
_cell_angle_beta 126.36457257
_cell_angle_gamma 79.28976307
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 140 | 140 | # generated using pymatgen
data_BaPr2CoS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92672400
_cell_length_b 7.92672400
_cell_length_c 13.52906800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,865 | 10,002 | mp-1013525 | -1.201618 | 0 | VS2 | 0 | ['V', 'S'] | # generated using pymatgen
data_VS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18025558
_cell_length_b 3.18025558
_cell_length_c 14.42964200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999123
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 194 | 194 | # generated using pymatgen
data_VS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18025558
_cell_length_b 3.18025558
_cell_length_c 14.42964200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
26,866 | 14,037 | mp-1077097 | -0.429185 | 0 | YbZnPb | 0 | ['Pb', 'Yb', 'Zn'] | # generated using pymatgen
data_YbZnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75571971
_cell_length_b 4.75571971
_cell_length_c 7.57824000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999598
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_YbZnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75571971
_cell_length_b 4.75571971
_cell_length_c 7.57824000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,867 | 14,393 | mp-617291 | -0.106724 | 0 | Mn5Ge3 | 0 | ['Ge', 'Mn'] | # generated using pymatgen
data_Mn5Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13357957
_cell_length_b 7.13357957
_cell_length_c 4.98263000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999598
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Mn5Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13357957
_cell_length_b 7.13357957
_cell_length_c 4.98263000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,868 | 3,436 | mp-861724 | -0.372067 | 0 | Ac2AgIr | 0 | ['Ac', 'Ag', 'Ir'] | # generated using pymatgen
data_Ac2AgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40440157
_cell_length_b 5.40440157
_cell_length_c 5.40440157
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Ac2AgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64297800
_cell_length_b 7.64297800
_cell_length_c 7.64297800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,869 | 31,786 | mp-1274098 | -2.499251 | 0.2384 | V3O5 | 0.023095 | ['O', 'V'] | # generated using pymatgen
data_V3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17821403
_cell_length_b 5.71593836
_cell_length_c 7.10864196
_cell_angle_alpha 109.47574216
_cell_angle_beta 90.01063775
_cell_angle_gamma 63.05875199
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 5 | 5 | # generated using pymatgen
data_V3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.19119334
_cell_length_b 5.17821403
_cell_length_c 7.10864196
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.95650927
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,870 | 32,653 | mp-1213998 | -2.155714 | 0 | Ca4Tl3O9 | 0.025808 | ['Ca', 'O', 'Tl'] | # generated using pymatgen
data_Ca4Tl3O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89516341
_cell_length_b 5.89516341
_cell_length_c 12.38886902
_cell_angle_alpha 78.53852266
_cell_angle_beta 78.53852266
_cell_angle_gamma 33.46009134
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Ca4Tl3O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.29126200
_cell_length_b 3.39399600
_cell_length_c 12.38886902
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.97540694
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,871 | 17,975 | mp-8932 | -0.467408 | 1.3512 | Cs2SiP2 | 0 | ['Cs', 'Si', 'P'] | # generated using pymatgen
data_Cs2SiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.71950593
_cell_length_b 8.71950593
_cell_length_c 8.71950593
_cell_angle_alpha 138.12975386
_cell_angle_beta 127.76408768
_cell_angle_gamma 69.07964115
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 72 | 72 | # generated using pymatgen
data_Cs2SiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23114400
_cell_length_b 7.67701200
_cell_length_c 14.36507800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,872 | 30,274 | mp-1228579 | -2.0568 | 0 | Ba2Ca3Cu4HgO10 | 0.019571 | ['Ba', 'Ca', 'Cu', 'Hg', 'O'] | # generated using pymatgen
data_Ba2Ca3Cu4HgO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89770900
_cell_length_b 3.89770900
_cell_length_c 19.40210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 123 | 123 | # generated using pymatgen
data_Ba2Ca3Cu4HgO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89770900
_cell_length_b 3.89770900
_cell_length_c 19.40210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
26,873 | 17,561 | mp-1102807 | -1.125978 | 0 | PrNiP | 0 | ['Ni', 'P', 'Pr'] | # generated using pymatgen
data_PrNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98988991
_cell_length_b 3.98988991
_cell_length_c 16.22742300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999859
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_PrNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98988991
_cell_length_b 3.98988991
_cell_length_c 16.22742300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,874 | 18,328 | mp-30883 | -0.04639 | 0 | V4Zn5 | 0 | ['V', 'Zn'] | # generated using pymatgen
data_V4Zn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49961039
_cell_length_b 6.49961039
_cell_length_c 6.49961039
_cell_angle_alpha 93.43723085
_cell_angle_beta 93.43723085
_cell_angle_gamma 151.65321759
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_V4Zn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91203000
_cell_length_b 8.91203000
_cell_length_c 3.18295200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
26,875 | 15,086 | mp-1106170 | -0.677348 | 0 | Gd3Pt | 0 | ['Gd', 'Pt'] | # generated using pymatgen
data_Gd3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53727800
_cell_length_b 7.18022700
_cell_length_c 9.76492800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 62 | 62 | # generated using pymatgen
data_Gd3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53727800
_cell_length_b 7.18022700
_cell_length_c 9.76492800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
26,876 | 2,977 | mp-946 | -0.679469 | 0 | PrIr2 | 0 | ['Pr', 'Ir'] | # generated using pymatgen
data_PrIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46371369
_cell_length_b 5.46371369
_cell_length_c 5.46371369
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 227 | 227 | # generated using pymatgen
data_PrIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72685800
_cell_length_b 7.72685800
_cell_length_c 7.72685800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
26,877 | 23,205 | mp-1221147 | -2.051682 | 4.294 | Na5BrCl4 | 0.004938 | ['Br', 'Cl', 'Na'] | # generated using pymatgen
data_Na5BrCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.80297953
_cell_length_b 16.80297953
_cell_length_c 16.80297922
_cell_angle_alpha 13.92591811
_cell_angle_beta 13.92591811
_cell_angle_gamma 13.92591999
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 166 | 166 | # generated using pymatgen
data_Na5BrCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07397171
_cell_length_b 4.07397171
_cell_length_c 49.91261689
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,878 | 24,083 | mp-1112109 | -1.805249 | 2.2076 | Cs2TlBiCl6 | 0.006482 | ['Bi', 'Cl', 'Cs', 'Tl'] | # generated using pymatgen
data_Cs2TlBiCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18976307
_cell_length_b 8.18976307
_cell_length_c 8.18976307
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 225 | 225 | # generated using pymatgen
data_Cs2TlBiCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.58207401
_cell_length_b 11.58207401
_cell_length_c 11.58207401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,879 | 26,682 | mp-1215796 | -0.257152 | 0 | Zr2Co3Mo | 0.011038 | ['Co', 'Mo', 'Zr'] | # generated using pymatgen
data_Zr2Co3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05497272
_cell_length_b 5.05497272
_cell_length_c 8.03945600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000944
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 194 | 194 | # generated using pymatgen
data_Zr2Co3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05497272
_cell_length_b 5.05497272
_cell_length_c 8.03945600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,880 | 8,082 | mp-11294 | -0.309719 | 0 | DyCd2 | 0 | ['Dy', 'Cd'] | # generated using pymatgen
data_DyCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97874196
_cell_length_b 4.97874196
_cell_length_c 3.45473800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999941
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_DyCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97874196
_cell_length_b 4.97874196
_cell_length_c 3.45473800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,881 | 19,077 | mp-1105559 | -0.897968 | 0 | YGaPd2 | 0 | ['Ga', 'Pd', 'Y'] | # generated using pymatgen
data_YGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61930800
_cell_length_b 7.18459600
_cell_length_c 7.40791700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_YGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61930800
_cell_length_b 7.18459600
_cell_length_c 7.40791700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,882 | 31,978 | mp-981539 | -0.81971 | 0 | Hf2IrPd | 0.024056 | ['Hf', 'Ir', 'Pd'] | # generated using pymatgen
data_Hf2IrPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66934427
_cell_length_b 4.66934427
_cell_length_c 4.66934498
_cell_angle_alpha 59.99999499
_cell_angle_beta 60.00000501
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Hf2IrPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60345033
_cell_length_b 6.60345033
_cell_length_c 6.60345033
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,883 | 41,126 | mp-1184501 | -0.393708 | 0 | GdBi3 | 0.05882 | ['Bi', 'Gd'] | # generated using pymatgen
data_GdBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82750991
_cell_length_b 6.82750991
_cell_length_c 6.10145300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999912
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_GdBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82750991
_cell_length_b 6.82750991
_cell_length_c 6.10145300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,884 | 20,938 | mp-764098 | -1.5291 | 0 | Li2Ni3TeO8 | 0.000441 | ['Li', 'Ni', 'O', 'Te'] | # generated using pymatgen
data_Li2Ni3TeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01989027
_cell_length_b 6.01993459
_cell_length_c 6.01954135
_cell_angle_alpha 58.77438770
_cell_angle_beta 58.77458186
_cell_angle_gamma 58.77670909
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Li2Ni3TeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90807127
_cell_length_b 5.90807127
_cell_length_c 14.88042686
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,885 | 14,534 | mp-1079840 | -0.593994 | 0 | Dy2Ni2Sn | 0 | ['Dy', 'Ni', 'Sn'] | # generated using pymatgen
data_Dy2Ni2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28382300
_cell_length_b 7.28382300
_cell_length_c 3.71716500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 127 | 127 | # generated using pymatgen
data_Dy2Ni2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28382300
_cell_length_b 7.28382300
_cell_length_c 3.71716500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,886 | 2,542 | mp-1079438 | -1.036727 | 0 | Ta2N | 0 | ['N', 'Ta'] | # generated using pymatgen
data_Ta2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31849854
_cell_length_b 5.31849854
_cell_length_c 4.96606500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000670
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 162 | 162 | # generated using pymatgen
data_Ta2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31849854
_cell_length_b 5.31849854
_cell_length_c 4.96606500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,887 | 19,770 | mp-22907 | -0.849832 | 0 | DyBi | 0 | ['Dy', 'Bi'] | # generated using pymatgen
data_DyBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47656292
_cell_length_b 4.47656292
_cell_length_c 4.47656292
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy... | 225 | 225 | # generated using pymatgen
data_DyBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33081599
_cell_length_b 6.33081599
_cell_length_c 6.33081599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy... |
26,888 | 23,255 | mp-1226874 | -4.011628 | 1.985 | Ce4ThO10 | 0.004701 | ['Ce', 'O', 'Th'] | # generated using pymatgen
data_Ce4ThO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.00165921
_cell_length_b 14.00165921
_cell_length_c 14.00165921
_cell_angle_alpha 164.04905976
_cell_angle_beta 164.04905976
_cell_angle_gamma 22.63210776
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 139 | 139 | # generated using pymatgen
data_Ce4ThO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88543600
_cell_length_b 3.88543600
_cell_length_c 27.45892599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,889 | 21,944 | mp-861885 | -0.715267 | 0 | LiDyAu2 | 0.001726 | ['Au', 'Dy', 'Li'] | # generated using pymatgen
data_LiDyAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86348186
_cell_length_b 4.86348186
_cell_length_c 4.86348186
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_LiDyAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87800201
_cell_length_b 6.87800201
_cell_length_c 6.87800201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,890 | 40,163 | mp-1217420 | -0.304723 | 0 | Th3(OsRu2)2 | 0.054813 | ['Os', 'Ru', 'Th'] | # generated using pymatgen
data_Th3(OsRu2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35250900
_cell_length_b 5.43447957
_cell_length_c 13.34286560
_cell_angle_alpha 89.10500710
_cell_angle_beta 89.25317239
_cell_angle_gamma 61.97852388
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 2 | 2 | # generated using pymatgen
data_Th3(OsRu2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35250900
_cell_length_b 5.43447957
_cell_length_c 13.34286560
_cell_angle_alpha 89.10500710
_cell_angle_beta 89.25317239
_cell_angle_gamma 61.97852388
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,891 | 44,851 | mp-567915 | -0.634377 | 0 | La3MnBi5 | 0.078525 | ['Bi', 'La', 'Mn'] | # generated using pymatgen
data_La3MnBi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.77965057
_cell_length_b 9.77965057
_cell_length_c 6.57426200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000387
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_La3MnBi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.77965057
_cell_length_b 9.77965057
_cell_length_c 6.57426200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,892 | 34,606 | mp-1174214 | -2.024904 | 0.8231 | Li4Mn3CoO8 | 0.033121 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li4Mn3CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05874443
_cell_length_b 5.09601213
_cell_length_c 6.14449056
_cell_angle_alpha 87.77255658
_cell_angle_beta 86.35407143
_cell_angle_gamma 106.08795127
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_Li4Mn3CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05874443
_cell_length_b 5.09601213
_cell_length_c 6.14449056
_cell_angle_alpha 92.22744342
_cell_angle_beta 93.64592857
_cell_angle_gamma 106.08795127
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,893 | 19,079 | mp-1105856 | -0.611149 | 0 | NpPt3 | 0 | ['Np', 'Pt'] | # generated using pymatgen
data_NpPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79935906
_cell_length_b 5.79935906
_cell_length_c 9.84179500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_NpPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79935906
_cell_length_b 5.79935906
_cell_length_c 9.84179500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,894 | 2,567 | mp-1103842 | -0.380037 | 1.3035 | P4Os | 0 | ['Os', 'P'] | # generated using pymatgen
data_P4Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75373500
_cell_length_b 7.21113046
_cell_length_c 7.60296266
_cell_angle_alpha 111.32997638
_cell_angle_beta 90.34487870
_cell_angle_gamma 100.43358193
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_P4Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75373500
_cell_length_b 7.21113046
_cell_length_c 7.60296266
_cell_angle_alpha 111.32997638
_cell_angle_beta 90.34487870
_cell_angle_gamma 100.43358193
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,895 | 12,673 | mp-1219193 | -0.373586 | 0 | SiNi6Ge | 0 | ['Ge', 'Ni', 'Si'] | # generated using pymatgen
data_SiNi6Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54200800
_cell_length_b 3.54200800
_cell_length_c 7.04930100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_SiNi6Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54200800
_cell_length_b 3.54200800
_cell_length_c 7.04930100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,896 | 2,102 | mp-1112610 | -2.869736 | 0 | Cs2TaHgF6 | 0 | ['Cs', 'F', 'Hg', 'Ta'] | # generated using pymatgen
data_Cs2TaHgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12062186
_cell_length_b 7.12062186
_cell_length_c 7.12062186
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_Cs2TaHgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.07008001
_cell_length_b 10.07008001
_cell_length_c 10.07008001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,897 | 9,153 | mp-1213875 | -0.664842 | 0 | Ce3Ni2Ge7 | 0 | ['Ce', 'Ge', 'Ni'] | # generated using pymatgen
data_Ce3Ni2Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.81839356
_cell_length_b 12.81839356
_cell_length_c 4.28282400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 160.85893415
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 65 | 65 | # generated using pymatgen
data_Ce3Ni2Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26241400
_cell_length_b 25.27996600
_cell_length_c 4.28282400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,898 | 7,293 | mp-27829 | -1.534149 | 2.696 | Rb2SeCl6 | 0 | ['Cl', 'Rb', 'Se'] | # generated using pymatgen
data_Rb2SeCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30244446
_cell_length_b 7.30244446
_cell_length_c 7.30244446
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Rb2SeCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.32721599
_cell_length_b 10.32721599
_cell_length_c 10.32721599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,899 | 26,078 | mp-1184313 | -0.045932 | 0 | ErMg3 | 0.009779 | ['Er', 'Mg'] | # generated using pymatgen
data_ErMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63671853
_cell_length_b 6.63671853
_cell_length_c 5.18666500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000530
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_ErMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63671853
_cell_length_b 6.63671853
_cell_length_c 5.18666500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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