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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,100 | 11,212 | mp-12417 | -2.916075 | 0 | Ba2CaReO6 | 0 | ['Ba', 'Ca', 'O', 'Re'] | # generated using pymatgen
data_Ba2CaReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99669070
_cell_length_b 5.99669070
_cell_length_c 5.99669070
_cell_angle_alpha 120.16952945
_cell_angle_beta 120.16952945
_cell_angle_gamma 89.70661634
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 87 | 87 | # generated using pymatgen
data_Ba2CaReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98131800
_cell_length_b 5.98131800
_cell_length_c 8.50228600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,101 | 25,402 | mp-644103 | -2.936713 | 3.2184 | CaSiSnO5 | 0.008614 | ['Ca', 'O', 'Si', 'Sn'] | # generated using pymatgen
data_CaSiSnO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63326100
_cell_length_b 5.64441720
_cell_length_c 7.26416186
_cell_angle_alpha 103.98049041
_cell_angle_beta 103.76110221
_cell_angle_gamma 106.05738856
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_CaSiSnO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63326100
_cell_length_b 5.64441720
_cell_length_c 7.26416186
_cell_angle_alpha 103.98049041
_cell_angle_beta 103.76110221
_cell_angle_gamma 106.05738856
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,102 | 43,551 | mp-1094656 | -0.065593 | 0 | Mg2Ga | 0.071195 | ['Ga', 'Mg'] | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43959076
_cell_length_b 5.43959076
_cell_length_c 4.85762900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000920
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43959076
_cell_length_b 5.43959076
_cell_length_c 4.85762900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,103 | 34,824 | mp-25096 | -1.333311 | 0.3548 | NiBiO3 | 0.032243 | ['Bi', 'Ni', 'O'] | # generated using pymatgen
data_NiBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84876000
_cell_length_b 5.36842200
_cell_length_c 5.68220154
_cell_angle_alpha 89.66086381
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_NiBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36842200
_cell_length_b 7.84876000
_cell_length_c 5.68220154
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.33913619
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,104 | 36,964 | mp-849420 | -1.832307 | 0 | Li2Mn3CuO8 | 0.039593 | ['Cu', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li2Mn3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92719923
_cell_length_b 5.92719927
_cell_length_c 5.92720034
_cell_angle_alpha 58.97721708
_cell_angle_beta 58.97722525
_cell_angle_gamma 58.97722563
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 160 | 160 | # generated using pymatgen
data_Li2Mn3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83533434
_cell_length_b 5.83533434
_cell_length_c 14.62982808
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,105 | 28,862 | mp-546787 | -1.276569 | 2.5007 | KNO2 | 0.016143 | ['K', 'N', 'O'] | # generated using pymatgen
data_KNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27756245
_cell_length_b 4.27756245
_cell_length_c 4.19042131
_cell_angle_alpha 76.67814978
_cell_angle_beta 76.67814978
_cell_angle_gamma 85.54657413
_symmetry_Int_Tables_number 1
_chemical_formula_structural KN... | 8 | 8 | # generated using pymatgen
data_KNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27986000
_cell_length_b 5.80977800
_cell_length_c 4.19042131
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.29471942
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... |
26,106 | 32,612 | mp-1185554 | 0.027039 | 0 | CsK3 | 0.027039 | ['Cs', 'K'] | # generated using pymatgen
data_CsK3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79245956
_cell_length_b 7.79245956
_cell_length_c 7.79245956
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs... | 225 | 225 | # generated using pymatgen
data_CsK3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.02020199
_cell_length_b 11.02020199
_cell_length_c 11.02020199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,107 | 3,356 | mp-541449 | -0.419509 | 0 | CrGeTe3 | 0 | ['Cr', 'Ge', 'Te'] | # generated using pymatgen
data_CrGeTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29597005
_cell_length_b 8.29597005
_cell_length_c 8.29596941
_cell_angle_alpha 49.24565919
_cell_angle_beta 49.24565919
_cell_angle_gamma 49.24565571
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_CrGeTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91291610
_cell_length_b 6.91291610
_cell_length_c 21.81840534
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,108 | 3,210 | mp-1228724 | -0.724122 | 0.9561 | AsRhSe | 0 | ['As', 'Rh', 'Se'] | # generated using pymatgen
data_AsRhSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01289400
_cell_length_b 6.01289400
_cell_length_c 6.01289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 198 | 198 | # generated using pymatgen
data_AsRhSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01289400
_cell_length_b 6.01289400
_cell_length_c 6.01289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,109 | 40,633 | mp-1185825 | 0.014904 | 0 | Mg5Pb | 0.057297 | ['Mg', 'Pb'] | # generated using pymatgen
data_Mg5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48425318
_cell_length_b 8.48425338
_cell_length_c 5.22556700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.29291870
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_Mg5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34046100
_cell_length_b 16.63645200
_cell_length_c 5.22556700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,110 | 1,405 | mp-569350 | -1.03541 | 0 | La5Sn3Br | 0 | ['Br', 'La', 'Sn'] | # generated using pymatgen
data_La5Sn3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.71212837
_cell_length_b 9.71212837
_cell_length_c 7.01613700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000252
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_La5Sn3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.71212837
_cell_length_b 9.71212837
_cell_length_c 7.01613700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,111 | 40,578 | mp-1111966 | -2.994033 | 0 | Cs2RbNbF6 | 0.057691 | ['Cs', 'F', 'Nb', 'Rb'] | # generated using pymatgen
data_Cs2RbNbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79586610
_cell_length_b 6.79586610
_cell_length_c 6.79586610
_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_Cs2RbNbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61080601
_cell_length_b 9.61080601
_cell_length_c 9.61080601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,112 | 21,294 | mp-22136 | -1.790934 | 0 | CoGeO3 | 0.001352 | ['Co', 'Ge', 'O'] | # generated using pymatgen
data_CoGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69370884
_cell_length_b 6.69370884
_cell_length_c 5.23801405
_cell_angle_alpha 81.49480255
_cell_angle_beta 81.49480255
_cell_angle_gamma 86.09044661
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_CoGeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.78372800
_cell_length_b 9.13792200
_cell_length_c 5.23801405
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.67590951
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,113 | 11,474 | mp-9472 | -0.163724 | 0 | LiAg2Ge | 0 | ['Li', 'Ag', 'Ge'] | # generated using pymatgen
data_LiAg2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56017547
_cell_length_b 4.56017547
_cell_length_c 4.56017547
_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_LiAg2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44906200
_cell_length_b 6.44906200
_cell_length_c 6.44906200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,114 | 11,419 | mp-7477 | -3.069514 | 3.6779 | RbErO2 | 0 | ['Rb', 'Er', 'O'] | # generated using pymatgen
data_RbErO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84885036
_cell_length_b 6.84885036
_cell_length_c 6.84885068
_cell_angle_alpha 29.38471134
_cell_angle_beta 29.38471134
_cell_angle_gamma 29.38470580
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_RbErO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47413236
_cell_length_b 3.47413236
_cell_length_c 19.64566072
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,115 | 6,598 | mp-11555 | -0.088639 | 0 | PuRu | 0 | ['Pu', 'Ru'] | # generated using pymatgen
data_PuRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27197600
_cell_length_b 3.27197600
_cell_length_c 3.27197600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu... | 221 | 221 | # generated using pymatgen
data_PuRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27197600
_cell_length_b 3.27197600
_cell_length_c 3.27197600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu... |
26,116 | 20,459 | mp-866192 | -0.505101 | 0 | Li2YbSn | 0 | ['Yb', 'Li', 'Sn'] | # generated using pymatgen
data_Li2YbSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88345055
_cell_length_b 4.88345055
_cell_length_c 4.88345055
_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_Li2YbSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90624200
_cell_length_b 6.90624200
_cell_length_c 6.90624200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,117 | 20,030 | mp-1096838 | -1.402956 | 1.7274 | Ba(AgO)2 | 0 | ['Ag', 'Ba', 'O'] | # generated using pymatgen
data_Ba(AgO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90744634
_cell_length_b 6.90744634
_cell_length_c 6.90744634
_cell_angle_alpha 128.50389191
_cell_angle_beta 128.50389191
_cell_angle_gamma 75.81015318
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 141 | 141 | # generated using pymatgen
data_Ba(AgO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00139200
_cell_length_b 6.00139200
_cell_length_c 10.90035999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,118 | 11,288 | mp-22156 | -0.709599 | 0 | Hf2InC | 0 | ['Hf', 'In', 'C'] | # generated using pymatgen
data_Hf2InC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32301663
_cell_length_b 3.32301663
_cell_length_c 14.90740300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001253
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Hf2InC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32301663
_cell_length_b 3.32301663
_cell_length_c 14.90740300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,119 | 36,157 | mp-1208349 | -1.848587 | 0 | TbMn4(CuO4)3 | 0.03785 | ['Cu', 'Mn', 'O', 'Tb'] | # generated using pymatgen
data_TbMn4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42016675
_cell_length_b 6.42016675
_cell_length_c 6.42016675
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 204 | 204 | # generated using pymatgen
data_TbMn4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41337000
_cell_length_b 7.41337000
_cell_length_c 7.41337000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,120 | 44,361 | mp-752556 | -1.441619 | 0.5134 | KCoO2 | 0.074069 | ['Co', 'K', 'O'] | # generated using pymatgen
data_KCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51671266
_cell_length_b 6.92872000
_cell_length_c 6.51205221
_cell_angle_alpha 66.88609718
_cell_angle_beta 75.26874199
_cell_angle_gamma 76.41286571
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 12 | 12 | # generated using pymatgen
data_KCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.59610485
_cell_length_b 3.25835633
_cell_length_c 7.41547012
_cell_angle_alpha 90.00000000
_cell_angle_beta 121.85495731
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,121 | 8,827 | mp-29141 | -0.010687 | 0 | Re3Ge7 | 0 | ['Ge', 'Re'] | # generated using pymatgen
data_Re3Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85179696
_cell_length_b 4.85179696
_cell_length_c 22.15817100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 140.64108312
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Re3Ge7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26776000
_cell_length_b 9.13681999
_cell_length_c 22.15817100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,122 | 12,766 | mp-23472 | -0.946665 | 0.8395 | Re(AgCl3)2 | 0 | ['Ag', 'Cl', 'Re'] | # generated using pymatgen
data_Re(AgCl3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16688790
_cell_length_b 7.16688790
_cell_length_c 7.16688730
_cell_angle_alpha 56.06408281
_cell_angle_beta 56.06408281
_cell_angle_gamma 56.06407692
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 148 | 148 | # generated using pymatgen
data_Re(AgCl3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73637618
_cell_length_b 6.73637618
_cell_length_c 18.05940805
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,123 | 40,335 | mp-37381 | -4.146305 | 5.5421 | SmOF | 0.055045 | ['Sm', 'O', 'F'] | # generated using pymatgen
data_SmOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93774473
_cell_length_b 3.93774473
_cell_length_c 3.93774473
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | 216 | 216 | # generated using pymatgen
data_SmOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56881200
_cell_length_b 5.56881200
_cell_length_c 5.56881200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... |
26,124 | 1,806 | mp-27988 | -1.694203 | 1.5547 | IF7 | 0 | ['F', 'I'] | # generated using pymatgen
data_IF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58370294
_cell_length_b 5.58370294
_cell_length_c 9.78797400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.61603724
_symmetry_Int_Tables_number 1
_chemical_formula_structural IF... | 41 | 41 | # generated using pymatgen
data_IF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82793400
_cell_length_b 8.83687000
_cell_length_c 9.78797400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural IF7... |
26,125 | 26,775 | mp-1226981 | -0.281216 | 0 | CeGa7Fe5 | 0.010683 | ['Ce', 'Fe', 'Ga'] | # generated using pymatgen
data_CeGa7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04053100
_cell_length_b 6.65146874
_cell_length_c 6.65146874
_cell_angle_alpha 98.00360951
_cell_angle_beta 112.26579075
_cell_angle_gamma 67.73420925
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 44 | 44 | # generated using pymatgen
data_CeGa7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04053100
_cell_length_b 8.68315800
_cell_length_c 8.72719600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,126 | 10,884 | mp-6638 | -0.581933 | 0 | Nd2Fe2Si2C | 0 | ['C', 'Fe', 'Nd', 'Si'] | # generated using pymatgen
data_Nd2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76478846
_cell_length_b 5.76478846
_cell_length_c 6.97109401
_cell_angle_alpha 54.18248860
_cell_angle_beta 54.18248860
_cell_angle_gamma 40.58849939
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Nd2Fe2Si2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.81386401
_cell_length_b 3.99893600
_cell_length_c 6.97109401
_cell_angle_alpha 90.00000000
_cell_angle_beta 128.60422451
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,127 | 35,690 | mp-1216649 | -2.767403 | 1.5783 | TiSnO4 | 0.037152 | ['O', 'Sn', 'Ti'] | # generated using pymatgen
data_TiSnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74686214
_cell_length_b 4.74686214
_cell_length_c 3.10212800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.19594549
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_TiSnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70158800
_cell_length_b 6.72454600
_cell_length_c 3.10212800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,128 | 7,496 | mp-985439 | -0.875805 | 0 | BaPAu | 0 | ['Ba', 'P', 'Au'] | # generated using pymatgen
data_BaPAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46929388
_cell_length_b 4.46929388
_cell_length_c 9.18402200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999819
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_BaPAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46929388
_cell_length_b 4.46929388
_cell_length_c 9.18402200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,129 | 4,732 | mp-16491 | -0.402806 | 0 | SrAl9Co2 | 0 | ['Sr', 'Al', 'Co'] | # generated using pymatgen
data_SrAl9Co2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90809374
_cell_length_b 7.90809374
_cell_length_c 3.91292000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999783
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 191 | 191 | # generated using pymatgen
data_SrAl9Co2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90809374
_cell_length_b 7.90809374
_cell_length_c 3.91292000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,130 | 16,971 | mp-866218 | -0.572737 | 0 | Ti2MnRh | 0 | ['Ti', 'Mn', 'Rh'] | # generated using pymatgen
data_Ti2MnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30203341
_cell_length_b 4.30203341
_cell_length_c 4.30203341
_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_Ti2MnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08399399
_cell_length_b 6.08399399
_cell_length_c 6.08399399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,131 | 21,894 | mp-625788 | -2.235066 | 3.9861 | La(HO)3 | 0.002401 | ['H', 'La', 'O'] | # generated using pymatgen
data_La(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83109200
_cell_length_b 6.57091593
_cell_length_c 6.61215808
_cell_angle_alpha 60.58492155
_cell_angle_beta 87.81509947
_cell_angle_gamma 87.61291977
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_La(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83109200
_cell_length_b 6.57091593
_cell_length_c 6.61215808
_cell_angle_alpha 60.58492155
_cell_angle_beta 87.81509947
_cell_angle_gamma 87.61291977
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,132 | 31,287 | mp-1228189 | -2.128458 | 0 | Ba4Bi(PbO4)3 | 0.022563 | ['Ba', 'Bi', 'O', 'Pb'] | # generated using pymatgen
data_Ba4Bi(PbO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36870100
_cell_length_b 4.36870100
_cell_length_c 17.54155000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 123 | 123 | # generated using pymatgen
data_Ba4Bi(PbO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36870100
_cell_length_b 4.36870100
_cell_length_c 17.54155000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,133 | 27,810 | mp-21071 | -2.823479 | 0 | Eu2SO2 | 0.013117 | ['Eu', 'O', 'S'] | # generated using pymatgen
data_Eu2SO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92453145
_cell_length_b 3.92475515
_cell_length_c 6.80135603
_cell_angle_alpha 89.99999840
_cell_angle_beta 90.00957279
_cell_angle_gamma 120.00190981
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Eu2SO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92464330
_cell_length_b 3.92464330
_cell_length_c 6.80135603
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,134 | 42,074 | mp-1113340 | -1.426347 | 0.2814 | Rb2AsAuCl6 | 0.063384 | ['As', 'Au', 'Cl', 'Rb'] | # generated using pymatgen
data_Rb2AsAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38405024
_cell_length_b 7.38405024
_cell_length_c 7.38405024
_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_Rb2AsAuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.44262399
_cell_length_b 10.44262399
_cell_length_c 10.44262399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,135 | 22,594 | mp-1186158 | -0.070788 | 0 | NaIn3 | 0.004024 | ['In', 'Na'] | # generated using pymatgen
data_NaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87826613
_cell_length_b 5.87826613
_cell_length_c 5.87826613
_cell_angle_alpha 133.05805011
_cell_angle_beta 133.05805011
_cell_angle_gamma 68.56299836
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_NaIn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68244400
_cell_length_b 4.68244400
_cell_length_c 9.71418999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
26,136 | 30,615 | mp-1185453 | -0.288181 | 0 | Lu2TlZn | 0.020665 | ['Lu', 'Tl', 'Zn'] | # generated using pymatgen
data_Lu2TlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11512277
_cell_length_b 5.11512277
_cell_length_c 5.11512277
_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_Lu2TlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23387599
_cell_length_b 7.23387599
_cell_length_c 7.23387599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,137 | 36,684 | mp-1215447 | -0.681157 | 0.473 | ZnHgS2 | 0.039913 | ['Hg', 'S', 'Zn'] | # generated using pymatgen
data_ZnHgS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04685887
_cell_length_b 7.04685887
_cell_length_c 7.04685910
_cell_angle_alpha 33.28753276
_cell_angle_beta 33.28753276
_cell_angle_gamma 33.28754059
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_ZnHgS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03672757
_cell_length_b 4.03672757
_cell_length_c 19.95090184
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,138 | 19,764 | mp-22495 | -2.452948 | 0 | SmNiO3 | 0 | ['Ni', 'O', 'Sm'] | # generated using pymatgen
data_SmNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34675400
_cell_length_b 5.54790200
_cell_length_c 7.63106600
_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_SmNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34675400
_cell_length_b 5.54790200
_cell_length_c 7.63106600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,139 | 26,272 | mp-1228399 | -3.009003 | 3.7443 | Ba2SrV2O8 | 0.009753 | ['Ba', 'O', 'Sr', 'V'] | # generated using pymatgen
data_Ba2SrV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81954417
_cell_length_b 7.81954417
_cell_length_c 7.81954461
_cell_angle_alpha 43.91679323
_cell_angle_beta 43.91679323
_cell_angle_gamma 43.91679990
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 160 | 160 | # generated using pymatgen
data_Ba2SrV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84797566
_cell_length_b 5.84797566
_cell_length_c 21.15918254
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,140 | 13,244 | mp-1854 | -0.707316 | 0 | EuPd2 | 0 | ['Eu', 'Pd'] | # generated using pymatgen
data_EuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54772646
_cell_length_b 5.54772646
_cell_length_c 5.54772646
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 227 | 227 | # generated using pymatgen
data_EuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84567000
_cell_length_b 7.84567000
_cell_length_c 7.84567000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
26,141 | 21,555 | mp-1103194 | -0.78655 | 1.829 | SbSBr | 0.002012 | ['Br', 'S', 'Sb'] | # generated using pymatgen
data_SbSBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01409500
_cell_length_b 8.78100000
_cell_length_c 10.22093000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 33 | 33 | # generated using pymatgen
data_SbSBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01409500
_cell_length_b 8.78100000
_cell_length_c 10.22093000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,142 | 3,922 | mp-861964 | -0.672855 | 0 | LiLu2Ir | 0 | ['Ir', 'Li', 'Lu'] | # generated using pymatgen
data_LiLu2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81005711
_cell_length_b 4.81005711
_cell_length_c 4.81005711
_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_LiLu2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80244800
_cell_length_b 6.80244800
_cell_length_c 6.80244800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,143 | 3,928 | mp-862764 | -0.236728 | 0 | LiCa2Rh | 0 | ['Ca', 'Li', 'Rh'] | # generated using pymatgen
data_LiCa2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06458585
_cell_length_b 5.06458585
_cell_length_c 5.06458585
_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_LiCa2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16240600
_cell_length_b 7.16240600
_cell_length_c 7.16240600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,144 | 44,914 | mp-755212 | -1.439147 | 0 | Li3Co2(NiO4)2 | 0.076789 | ['Co', 'Li', 'Ni', 'O'] | # generated using pymatgen
data_Li3Co2(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76354478
_cell_length_b 5.76541535
_cell_length_c 5.71283601
_cell_angle_alpha 59.69181326
_cell_angle_beta 60.50819690
_cell_angle_gamma 90.27432748
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_Li3Co2(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.92919753
_cell_length_b 5.75451575
_cell_length_c 5.71283601
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.61730546
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
26,145 | 44,767 | mp-1227838 | -2.336193 | 0 | BaNdFeCoO6 | 0.078451 | ['Ba', 'Co', 'Fe', 'Nd', 'O'] | # generated using pymatgen
data_BaNdFeCoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91011500
_cell_length_b 3.91011500
_cell_length_c 7.91535700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 99 | 99 | # generated using pymatgen
data_BaNdFeCoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91011500
_cell_length_b 3.91011500
_cell_length_c 7.91535700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,146 | 25,378 | mp-568526 | -0.480107 | 0 | SrHg2 | 0.008048 | ['Hg', 'Sr'] | # generated using pymatgen
data_SrHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43806048
_cell_length_b 6.43806048
_cell_length_c 6.43806048
_cell_angle_alpha 132.73863912
_cell_angle_beta 103.73989736
_cell_angle_gamma 94.80876336
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_SrHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16126000
_cell_length_b 7.95034200
_cell_length_c 8.71481200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
26,147 | 18,787 | mp-29376 | -1.214677 | 2.022 | Na5InS4 | 0 | ['In', 'Na', 'S'] | # generated using pymatgen
data_Na5InS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.85339800
_cell_length_b 6.88394900
_cell_length_c 7.87440008
_cell_angle_alpha 88.99593366
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Na5InS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88394900
_cell_length_b 8.85339800
_cell_length_c 7.87440008
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.00406634
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,148 | 11,228 | mp-13841 | -1.714016 | 0 | IrF4 | 0 | ['F', 'Ir'] | # generated using pymatgen
data_IrF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79144542
_cell_length_b 5.70427732
_cell_length_c 5.59781539
_cell_angle_alpha 73.86222911
_cell_angle_beta 53.78685778
_cell_angle_gamma 52.35091312
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ir... | 43 | 43 | # generated using pymatgen
data_IrF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95828600
_cell_length_b 9.47844800
_cell_length_c 9.72902600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ir... |
26,149 | 37,040 | mp-1080506 | -3.059901 | 4.0244 | Sr2TaInO6 | 0.041873 | ['In', 'O', 'Sr', 'Ta'] | # generated using pymatgen
data_Sr2TaInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84151094
_cell_length_b 5.84151094
_cell_length_c 5.84151094
_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_Sr2TaInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26114400
_cell_length_b 8.26114400
_cell_length_c 8.26114400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,150 | 728 | mp-22877 | -1.563124 | 1.2596 | VCl2 | 0 | ['V', 'Cl'] | # generated using pymatgen
data_VCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65532808
_cell_length_b 3.65532808
_cell_length_c 6.08596800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000146
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 164 | 164 | # generated using pymatgen
data_VCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65532808
_cell_length_b 3.65532808
_cell_length_c 6.08596800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
26,151 | 14,522 | mp-1077071 | -0.072854 | 0 | GdCo5 | 0 | ['Co', 'Gd'] | # generated using pymatgen
data_GdCo5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94039202
_cell_length_b 4.94039202
_cell_length_c 3.94293300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000027
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_GdCo5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94039202
_cell_length_b 4.94039202
_cell_length_c 3.94293300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,152 | 40,855 | mp-568587 | -0.60127 | 0 | CrCuSe2 | 0.057445 | ['Cr', 'Cu', 'Se'] | # generated using pymatgen
data_CrCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72646289
_cell_length_b 6.72646289
_cell_length_c 6.72646308
_cell_angle_alpha 32.35739879
_cell_angle_beta 32.35739879
_cell_angle_gamma 32.35740208
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_CrCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74844384
_cell_length_b 3.74844384
_cell_length_c 19.10641887
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,153 | 6,160 | mp-1207658 | -0.298065 | 0 | Yb(FeSb3)4 | 0 | ['Fe', 'Sb', 'Yb'] | # generated using pymatgen
data_Yb(FeSb3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95461481
_cell_length_b 7.95461481
_cell_length_c 7.95461481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 204 | 204 | # generated using pymatgen
data_Yb(FeSb3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.18519800
_cell_length_b 9.18519800
_cell_length_c 9.18519800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,154 | 4,875 | mp-541378 | -0.983717 | 1.58 | CsBiS2 | 0 | ['Bi', 'Cs', 'S'] | # generated using pymatgen
data_CsBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.59480800
_cell_length_b 7.51693100
_cell_length_c 8.19266445
_cell_angle_alpha 76.71231916
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_CsBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51693100
_cell_length_b 9.59480800
_cell_length_c 8.19266445
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.28768084
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,155 | 26,152 | mp-1215972 | -2.770892 | 0.3 | YLuCr2O8 | 0.010235 | ['Cr', 'Lu', 'O', 'Y'] | # generated using pymatgen
data_YLuCr2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94934225
_cell_length_b 5.94934225
_cell_length_c 5.94934225
_cell_angle_alpha 106.06499624
_cell_angle_beta 106.06499624
_cell_angle_gamma 116.52221296
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 119 | 119 | # generated using pymatgen
data_YLuCr2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15541601
_cell_length_b 7.15541601
_cell_length_c 6.25929201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,156 | 29,919 | mp-754260 | -2.524993 | 0.5208 | V6O11F | 0.018634 | ['F', 'O', 'V'] | # generated using pymatgen
data_V6O11F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61609400
_cell_length_b 5.53104771
_cell_length_c 7.53219619
_cell_angle_alpha 85.81312792
_cell_angle_beta 89.22114796
_cell_angle_gamma 89.01055831
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_V6O11F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61609400
_cell_length_b 5.53104771
_cell_length_c 7.53219619
_cell_angle_alpha 85.81312792
_cell_angle_beta 89.22114796
_cell_angle_gamma 89.01055831
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,157 | 5,928 | mp-862366 | -0.302902 | 0 | Sc2TlAg | 0 | ['Sc', 'Tl', 'Ag'] | # generated using pymatgen
data_Sc2TlAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98594285
_cell_length_b 4.98594285
_cell_length_c 4.98594285
_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_Sc2TlAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05118800
_cell_length_b 7.05118800
_cell_length_c 7.05118800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,158 | 19,281 | mp-22904 | -2.803498 | 5.5828 | CaCl2 | 0 | ['Ca', 'Cl'] | # generated using pymatgen
data_CaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43903300
_cell_length_b 6.43903300
_cell_length_c 4.22321700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 136 | 136 | # generated using pymatgen
data_CaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43903300
_cell_length_b 6.43903300
_cell_length_c 4.22321700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,159 | 4,547 | mp-1080104 | -0.724051 | 0 | Pr(BIr)2 | 0 | ['B', 'Ir', 'Pr'] | # generated using pymatgen
data_Pr(BIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15486910
_cell_length_b 6.16040880
_cell_length_c 5.61054008
_cell_angle_alpha 74.70340292
_cell_angle_beta 56.15079219
_cell_angle_gamma 49.14580489
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 70 | 70 | # generated using pymatgen
data_Pr(BIr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03931200
_cell_length_b 9.45723800
_cell_length_c 10.73914600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,160 | 412 | mp-1105721 | -1.630865 | 2.6772 | NaCr2In(H2O5)2 | 0 | ['Cr', 'H', 'In', 'Na', 'O'] | # generated using pymatgen
data_NaCr2In(H2O5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73673200
_cell_length_b 6.30108044
_cell_length_c 7.43424762
_cell_angle_alpha 110.08161805
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.07896941
_symmetry_Int_Tables_number 1
_chemical_formula_str... | 12 | 12 | # generated using pymatgen
data_NaCr2In(H2O5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.22071142
_cell_length_b 5.73673200
_cell_length_c 7.43424762
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.68293859
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... |
26,161 | 11,675 | mp-1219545 | -0.403626 | 0 | Re4(As2S)3 | 0 | ['As', 'Re', 'S'] | # generated using pymatgen
data_Re4(As2S)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08908533
_cell_length_b 7.08908533
_cell_length_c 7.08908492
_cell_angle_alpha 59.82606602
_cell_angle_beta 59.82606602
_cell_angle_gamma 59.82606707
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 160 | 160 | # generated using pymatgen
data_Re4(As2S)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07043984
_cell_length_b 7.07043984
_cell_length_c 17.38743234
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,162 | 34,475 | mp-976261 | -0.242638 | 0 | NaCa2In | 0.031865 | ['Na', 'Ca', 'In'] | # generated using pymatgen
data_NaCa2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61054441
_cell_length_b 5.61054441
_cell_length_c 5.61054441
_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_NaCa2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93450800
_cell_length_b 7.93450800
_cell_length_c 7.93450800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,163 | 15,764 | mp-20847 | -0.348095 | 0 | Ti5Sn3 | 0 | ['Ti', 'Sn'] | # generated using pymatgen
data_Ti5Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08043167
_cell_length_b 8.08043167
_cell_length_c 5.44312000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999727
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Ti5Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08043167
_cell_length_b 8.08043167
_cell_length_c 5.44312000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,164 | 23,312 | mp-21493 | -0.303429 | 0 | U2Ga8Ru | 0.004828 | ['U', 'Ga', 'Ru'] | # generated using pymatgen
data_U2Ga8Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30100200
_cell_length_b 4.30100200
_cell_length_c 11.02196100
_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_U2Ga8Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30100200
_cell_length_b 4.30100200
_cell_length_c 11.02196100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,165 | 32,464 | mp-972511 | -0.527663 | 0 | Sm2AgSn | 0.024282 | ['Sm', 'Ag', 'Sn'] | # generated using pymatgen
data_Sm2AgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34394111
_cell_length_b 5.34394111
_cell_length_c 5.34394111
_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_Sm2AgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55747399
_cell_length_b 7.55747399
_cell_length_c 7.55747399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,166 | 13,466 | mp-867889 | -3.120385 | 2.7032 | KNaGdTaO5 | 0 | ['Gd', 'K', 'Na', 'O', 'Ta'] | # generated using pymatgen
data_KNaGdTaO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72299300
_cell_length_b 5.72299300
_cell_length_c 8.30706900
_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_KNaGdTaO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72299300
_cell_length_b 5.72299300
_cell_length_c 8.30706900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,167 | 43,007 | mp-1025937 | -0.700674 | 0 | Te4Mo3S2 | 0.070986 | ['Mo', 'S', 'Te'] | # generated using pymatgen
data_Te4Mo3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42162683
_cell_length_b 3.42162683
_cell_length_c 31.71115100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001610
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 156 | 156 | # generated using pymatgen
data_Te4Mo3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42162683
_cell_length_b 3.42162683
_cell_length_c 31.71115100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,168 | 19,367 | mp-5459 | -3.242912 | 1.6053 | Nd2TeO2 | 0 | ['Nd', 'Te', 'O'] | # generated using pymatgen
data_Nd2TeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11081720
_cell_length_b 7.11081720
_cell_length_c 7.11081720
_cell_angle_alpha 146.70507496
_cell_angle_beta 146.70507496
_cell_angle_gamma 47.80066623
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Nd2TeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07424400
_cell_length_b 4.07424400
_cell_length_c 13.00215200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,169 | 15,250 | mp-20458 | -2.091037 | 2.0062 | PtPbF6 | 0 | ['Pt', 'Pb', 'F'] | # generated using pymatgen
data_PtPbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91807647
_cell_length_b 4.91807647
_cell_length_c 4.91807674
_cell_angle_alpha 98.30089798
_cell_angle_beta 98.30089798
_cell_angle_gamma 98.30089840
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_PtPbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44035810
_cell_length_b 7.44035810
_cell_length_c 7.18404526
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,170 | 36,390 | mp-754693 | -2.22427 | 2.1029 | Lu(BiO2)3 | 0.038045 | ['Bi', 'Lu', 'O'] | # generated using pymatgen
data_Lu(BiO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96675965
_cell_length_b 6.96675965
_cell_length_c 6.96675950
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 148 | 148 | # generated using pymatgen
data_Lu(BiO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.12198448
_cell_length_b 10.12198448
_cell_length_c 11.37795827
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,171 | 17,818 | mp-29635 | -0.367618 | 0 | PuGa | 0 | ['Ga', 'Pu'] | # generated using pymatgen
data_PuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22244020
_cell_length_b 6.22244020
_cell_length_c 6.22244020
_cell_angle_alpha 118.05399640
_cell_angle_beta 118.05399640
_cell_angle_gamma 93.40497700
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_PuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40456000
_cell_length_b 6.40456000
_cell_length_c 8.53453400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu... |
26,172 | 33,460 | mp-9577 | -0.400621 | 0 | Ca3(AlSi)2 | 0.027304 | ['Ca', 'Al', 'Si'] | # generated using pymatgen
data_Ca3(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.76391535
_cell_length_b 9.76391535
_cell_length_c 9.76391535
_cell_angle_alpha 155.83851476
_cell_angle_beta 153.16034070
_cell_angle_gamma 36.42170118
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 71 | 71 | # generated using pymatgen
data_Ca3(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08697800
_cell_length_b 4.53210800
_cell_length_c 18.54973800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,173 | 12,263 | mp-22714 | -0.364672 | 0 | LuCoC | 0 | ['C', 'Co', 'Lu'] | # generated using pymatgen
data_LuCoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59677800
_cell_length_b 3.59677800
_cell_length_c 6.59363100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 131 | 131 | # generated using pymatgen
data_LuCoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59677800
_cell_length_b 3.59677800
_cell_length_c 6.59363100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
26,174 | 3,806 | mp-2522 | -0.471801 | 0 | LuHg | 0 | ['Hg', 'Lu'] | # generated using pymatgen
data_LuHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65583100
_cell_length_b 3.65583100
_cell_length_c 3.65583100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu... | 221 | 221 | # generated using pymatgen
data_LuHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65583100
_cell_length_b 3.65583100
_cell_length_c 3.65583100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu... |
26,175 | 9,474 | mp-8871 | -2.231306 | 3.2576 | CsNa2BO3 | 0 | ['Cs', 'Na', 'B', 'O'] | # generated using pymatgen
data_CsNa2BO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67828800
_cell_length_b 5.86054900
_cell_length_c 6.32642300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 59 | 59 | # generated using pymatgen
data_CsNa2BO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67828800
_cell_length_b 5.86054900
_cell_length_c 6.32642300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,176 | 28,406 | mp-642458 | -0.443331 | 0 | CeIn4Pd | 0.014698 | ['Ce', 'In', 'Pd'] | # generated using pymatgen
data_CeIn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86574869
_cell_length_b 8.86574869
_cell_length_c 7.34651600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.81247030
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_CeIn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61727200
_cell_length_b 17.11977800
_cell_length_c 7.34651600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,177 | 27,903 | mp-675818 | -0.710985 | 0.2879 | Li11TiAs5 | 0.012761 | ['As', 'Li', 'Ti'] | # generated using pymatgen
data_Li11TiAs5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.60160110
_cell_angle_alpha 63.42659420
_cell_angle_beta 63.42659420
_cell_angle_gamma 33.25930391
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 8 | 8 | # generated using pymatgen
data_Li11TiAs5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.22405599
_cell_length_b 4.24839200
_cell_length_c 10.60160110
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.83138277
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,178 | 7,640 | mp-12016 | -1.376598 | 2.913 | Rb2SiS3 | 0 | ['Rb', 'S', 'Si'] | # generated using pymatgen
data_Rb2SiS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62519265
_cell_length_b 7.62519265
_cell_length_c 9.81283948
_cell_angle_alpha 58.60736771
_cell_angle_beta 58.60736771
_cell_angle_gamma 54.32381394
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Rb2SiS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.56857399
_cell_length_b 6.96190000
_cell_length_c 9.81283948
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.83583926
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,179 | 7,343 | mp-4793 | -0.602289 | 0 | U(SiPd)2 | 0 | ['U', 'Si', 'Pd'] | # generated using pymatgen
data_U(SiPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92642027
_cell_length_b 5.92642027
_cell_length_c 5.92642027
_cell_angle_alpha 139.92176015
_cell_angle_beta 139.92176015
_cell_angle_gamma 57.97211391
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_U(SiPd)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06151400
_cell_length_b 4.06151400
_cell_length_c 10.36812601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,180 | 10,922 | mp-861947 | -0.300829 | 0 | LiPm2Ga | 0 | ['Li', 'Pm', 'Ga'] | # generated using pymatgen
data_LiPm2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22807601
_cell_length_b 5.22807601
_cell_length_c 5.22807601
_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_LiPm2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39361600
_cell_length_b 7.39361600
_cell_length_c 7.39361600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,181 | 41,546 | mp-1101250 | -1.492539 | 0.9634 | TlInO2 | 0.063118 | ['In', 'O', 'Tl'] | # generated using pymatgen
data_TlInO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81024769
_cell_length_b 6.81024769
_cell_length_c 6.81024732
_cell_angle_alpha 28.76352281
_cell_angle_beta 28.76352281
_cell_angle_gamma 28.76352473
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_TlInO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38307984
_cell_length_b 3.38307984
_cell_length_c 19.57241837
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,182 | 18,211 | mp-1226657 | -0.789255 | 0 | CeAs2Au | 0 | ['As', 'Au', 'Ce'] | # generated using pymatgen
data_CeAs2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13981200
_cell_length_b 4.13981200
_cell_length_c 9.98171800
_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_CeAs2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13981200
_cell_length_b 4.13981200
_cell_length_c 9.98171800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,183 | 9,169 | mp-1221102 | -0.745297 | 1.1004 | NaBiTe2 | 0 | ['Bi', 'Na', 'Te'] | # generated using pymatgen
data_NaBiTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06048008
_cell_length_b 8.06048008
_cell_length_c 8.06047996
_cell_angle_alpha 32.49500832
_cell_angle_beta 32.49500832
_cell_angle_gamma 32.49500686
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_NaBiTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51043808
_cell_length_b 4.51043808
_cell_length_c 22.88470866
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,184 | 2,938 | mp-862781 | -0.356691 | 0 | AlCrRu2 | 0 | ['Al', 'Cr', 'Ru'] | # generated using pymatgen
data_AlCrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22925374
_cell_length_b 4.22925374
_cell_length_c 4.22925374
_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_AlCrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98106800
_cell_length_b 5.98106800
_cell_length_c 5.98106800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,185 | 37,494 | mvc-16792 | -1.318147 | 0 | Y(MnS2)2 | 0.042 | ['Mn', 'S', 'Y'] | # generated using pymatgen
data_Y(MnS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44823409
_cell_length_b 7.44823409
_cell_length_c 7.27563793
_cell_angle_alpha 61.01121100
_cell_angle_beta 61.01121100
_cell_angle_gamma 62.53171772
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Y(MnS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.73302799
_cell_length_b 7.73141400
_cell_length_c 7.27563793
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.54005999
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,186 | 7,905 | mp-7390 | -0.494832 | 0 | SrGe2 | 0 | ['Sr', 'Ge'] | # generated using pymatgen
data_SrGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16988892
_cell_length_b 4.16988892
_cell_length_c 5.19909700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001458
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_SrGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16988892
_cell_length_b 4.16988892
_cell_length_c 5.19909700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,187 | 44,913 | mp-755211 | -1.479712 | 1.8534 | CrO3 | 0.077664 | ['Cr', 'O'] | # generated using pymatgen
data_CrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62517500
_cell_length_b 6.99576200
_cell_length_c 9.73885280
_cell_angle_alpha 71.54640030
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr... | 14 | 14 | # generated using pymatgen
data_CrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99576200
_cell_length_b 4.62517500
_cell_length_c 9.73885280
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.45359970
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,188 | 38,243 | mp-1226213 | -0.283027 | 0 | CrFe3B2 | 0.046996 | ['B', 'Cr', 'Fe'] | # generated using pymatgen
data_CrFe3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09903242
_cell_length_b 4.18706205
_cell_length_c 4.14617540
_cell_angle_alpha 75.45092808
_cell_angle_beta 52.63792282
_cell_angle_gamma 51.91114910
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 42 | 42 | # generated using pymatgen
data_CrFe3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17663200
_cell_length_b 7.16371600
_cell_length_c 7.25821600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,189 | 32,314 | mp-16740 | -0.685147 | 0 | TiGePd | 0.025166 | ['Ti', 'Ge', 'Pd'] | # generated using pymatgen
data_TiGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66464176
_cell_length_b 6.66464176
_cell_length_c 3.72020100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999760
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_TiGePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66464176
_cell_length_b 6.66464176
_cell_length_c 3.72020100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,190 | 12,747 | mp-2088 | -0.464161 | 0 | CeAl2 | 0 | ['Ce', 'Al'] | # generated using pymatgen
data_CeAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62397520
_cell_length_b 5.62397520
_cell_length_c 5.62397520
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 227 | 227 | # generated using pymatgen
data_CeAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95350200
_cell_length_b 7.95350200
_cell_length_c 7.95350200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,191 | 24,480 | mp-976220 | -0.170754 | 0 | NaCdHg2 | 0.006199 | ['Na', 'Cd', 'Hg'] | # generated using pymatgen
data_NaCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19672572
_cell_length_b 5.19672572
_cell_length_c 5.19672572
_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_NaCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34927999
_cell_length_b 7.34927999
_cell_length_c 7.34927999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,192 | 28,713 | mp-1219466 | -0.672808 | 0 | Sc2(NbSi)3 | 0.015315 | ['Nb', 'Sc', 'Si'] | # generated using pymatgen
data_Sc2(NbSi)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77010621
_cell_length_b 7.77010621
_cell_length_c 5.37687600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.43927963
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 38 | 38 | # generated using pymatgen
data_Sc2(NbSi)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71845800
_cell_length_b 13.48790600
_cell_length_c 5.37687600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,193 | 9,842 | mp-3960 | -3.695425 | 2.1662 | CaUO4 | 0 | ['Ca', 'O', 'U'] | # generated using pymatgen
data_CaUO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34968439
_cell_length_b 6.34968439
_cell_length_c 6.34968493
_cell_angle_alpha 35.73942565
_cell_angle_beta 35.73942565
_cell_angle_gamma 35.73942173
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 166 | 166 | # generated using pymatgen
data_CaUO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89684629
_cell_length_b 3.89684629
_cell_length_c 17.81320330
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,194 | 29,525 | mp-1079131 | -0.516163 | 0 | VIr | 0.018525 | ['Ir', 'V'] | # generated using pymatgen
data_VIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30869908
_cell_length_b 5.30869908
_cell_length_c 3.96763100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 94.37626903
_symmetry_Int_Tables_number 1
_chemical_formula_structural VIr... | 65 | 65 | # generated using pymatgen
data_VIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21551201
_cell_length_b 7.78880801
_cell_length_c 3.96763100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VIr... |
26,195 | 4,209 | mp-1225099 | -0.641317 | 0.7116 | FeAg2Sn3S8 | 0 | ['Ag', 'Fe', 'S', 'Sn'] | # generated using pymatgen
data_FeAg2Sn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47187162
_cell_length_b 7.47187162
_cell_length_c 7.47187137
_cell_angle_alpha 60.77567374
_cell_angle_beta 60.77567374
_cell_angle_gamma 60.77567135
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_FeAg2Sn3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55930207
_cell_length_b 7.55930207
_cell_length_c 18.19424727
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,196 | 44,476 | mp-976419 | -0.011957 | 0 | Hf3Bi | 0.074603 | ['Hf', 'Bi'] | # generated using pymatgen
data_Hf3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67855598
_cell_length_b 5.67855598
_cell_length_c 5.67855598
_cell_angle_alpha 134.37548085
_cell_angle_beta 134.37548085
_cell_angle_gamma 66.50212539
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Hf3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40329800
_cell_length_b 4.40329800
_cell_length_c 9.49768000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
26,197 | 15,774 | mp-22146 | -0.521466 | 0 | In3Pd5 | 0 | ['In', 'Pd'] | # generated using pymatgen
data_In3Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24582200
_cell_length_b 5.77263900
_cell_length_c 11.27670800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 55 | 55 | # generated using pymatgen
data_In3Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24582200
_cell_length_b 5.77263900
_cell_length_c 11.27670800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,198 | 8,342 | mp-5054 | -0.964358 | 0 | Pr(CoP)2 | 0 | ['Co', 'P', 'Pr'] | # generated using pymatgen
data_Pr(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90295819
_cell_length_b 5.90295819
_cell_length_c 5.90295819
_cell_angle_alpha 141.98152567
_cell_angle_beta 141.98152567
_cell_angle_gamma 54.85662894
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Pr(CoP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84543000
_cell_length_b 3.84543000
_cell_length_c 10.47878799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,199 | 1,664 | mp-1213084 | -2.664998 | 5.3136 | CsSrCl3 | 0 | ['Cl', 'Cs', 'Sr'] | # generated using pymatgen
data_CsSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88444900
_cell_length_b 8.19782900
_cell_length_c 11.33868600
_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_CsSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88444900
_cell_length_b 8.19782900
_cell_length_c 11.33868600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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