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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,500 | 35,629 | mp-1185223 | 0.035972 | 0 | LaTb3 | 0.035972 | ['La', 'Tb'] | # generated using pymatgen
data_LaTb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25472964
_cell_length_b 6.25472964
_cell_length_c 6.25472964
_cell_angle_alpha 131.55650520
_cell_angle_beta 131.55650520
_cell_angle_gamma 70.93038710
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_LaTb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13224600
_cell_length_b 5.13224600
_cell_length_c 10.18855600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,501 | 43,185 | mp-1219491 | 0.070333 | 0 | ReW3 | 0.070333 | ['Re', 'W'] | # generated using pymatgen
data_ReW3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74485075
_cell_length_b 2.74485075
_cell_length_c 8.97968300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.77619908
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... | 65 | 65 | # generated using pymatgen
data_ReW3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15754000
_cell_length_b 4.49074200
_cell_length_c 8.97968300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re... |
24,502 | 8,386 | mp-571471 | -0.589013 | 0 | NbCoTe2 | 0 | ['Co', 'Nb', 'Te'] | # generated using pymatgen
data_NbCoTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37169300
_cell_length_b 7.81152300
_cell_length_c 8.42834549
_cell_angle_alpha 63.81217361
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_NbCoTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81152300
_cell_length_b 6.37169300
_cell_length_c 8.42834549
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.18782639
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,503 | 1,929 | mp-862667 | -0.295859 | 0 | LiAc2Ge | 0 | ['Li', 'Ac', 'Ge'] | # generated using pymatgen
data_LiAc2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53053811
_cell_length_b 5.53053811
_cell_length_c 5.53053811
_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_LiAc2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82136200
_cell_length_b 7.82136200
_cell_length_c 7.82136200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,504 | 20,865 | mp-560333 | -1.179828 | 1.0536 | Ta2Te4Br10O | 0.000798 | ['Br', 'O', 'Ta', 'Te'] | # generated using pymatgen
data_Ta2Te4Br10O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45500500
_cell_length_b 8.91685984
_cell_length_c 9.68192566
_cell_angle_alpha 96.45914293
_cell_angle_beta 91.91675686
_cell_angle_gamma 105.53006756
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 2 | 2 | # generated using pymatgen
data_Ta2Te4Br10O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45500500
_cell_length_b 8.91685984
_cell_length_c 9.68192566
_cell_angle_alpha 96.45914293
_cell_angle_beta 91.91675686
_cell_angle_gamma 105.53006756
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,505 | 1,385 | mp-5518 | -0.69063 | 0.5906 | GaAgSe2 | 0 | ['Ga', 'Ag', 'Se'] | # generated using pymatgen
data_GaAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07923774
_cell_length_b 7.07923774
_cell_length_c 7.07923774
_cell_angle_alpha 129.31737384
_cell_angle_beta 129.31737384
_cell_angle_gamma 74.50043910
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 122 | 122 | # generated using pymatgen
data_GaAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05996400
_cell_length_b 6.05996400
_cell_length_c 11.27014200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,506 | 11,479 | mp-974387 | -0.372636 | 0 | Nd2AgHg | 0 | ['Nd', 'Ag', 'Hg'] | # generated using pymatgen
data_Nd2AgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37829095
_cell_length_b 5.37829095
_cell_length_c 5.37829095
_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_Nd2AgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60605200
_cell_length_b 7.60605200
_cell_length_c 7.60605200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,507 | 20,923 | mp-754540 | -1.407039 | 2.9585 | CaPbI4 | 0.000707 | ['Ca', 'I', 'Pb'] | # generated using pymatgen
data_CaPbI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59503900
_cell_length_b 7.37104100
_cell_length_c 8.02273058
_cell_angle_alpha 89.73227884
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_CaPbI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37104100
_cell_length_b 4.59503900
_cell_length_c 8.02273058
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.26772116
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,508 | 43,789 | mp-20073 | -2.657889 | 1.4865 | TiFeO3 | 0.071826 | ['Fe', 'O', 'Ti'] | # generated using pymatgen
data_TiFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23280200
_cell_length_b 5.29105900
_cell_length_c 7.54040100
_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_TiFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23280200
_cell_length_b 5.29105900
_cell_length_c 7.54040100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,509 | 27,364 | mp-558383 | -2.910603 | 1.1107 | Na2CrF4 | 0.012495 | ['Cr', 'F', 'Na'] | # generated using pymatgen
data_Na2CrF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.70230500
_cell_length_b 3.39901700
_cell_length_c 5.74554886
_cell_angle_alpha 87.95875688
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_Na2CrF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39901700
_cell_length_b 9.70230500
_cell_length_c 5.74554886
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.04124312
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,510 | 2,841 | mp-510401 | -1.597667 | 0 | GdP | 0 | ['Gd', 'P'] | # generated using pymatgen
data_GdP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04469039
_cell_length_b 4.04469039
_cell_length_c 4.04469039
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdP... | 225 | 225 | # generated using pymatgen
data_GdP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72005601
_cell_length_b 5.72005601
_cell_length_c 5.72005601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdP... |
24,511 | 39,777 | mp-1299294 | -1.756797 | 0 | SrNiO3 | 0.053701 | ['Ni', 'O', 'Sr'] | # generated using pymatgen
data_SrNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50222022
_cell_length_b 5.50366858
_cell_length_c 9.62703861
_cell_angle_alpha 89.82133471
_cell_angle_beta 106.49647707
_cell_angle_gamma 60.04581282
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_SrNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50448745
_cell_length_b 5.50448745
_cell_length_c 27.26793685
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,512 | 14,620 | mp-1189870 | -0.37926 | 0 | Ca5Ga3 | 0 | ['Ca', 'Ga'] | # generated using pymatgen
data_Ca5Ga3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.33668710
_cell_length_b 9.33668710
_cell_length_c 9.33668710
_cell_angle_alpha 129.57863568
_cell_angle_beta 129.57863568
_cell_angle_gamma 74.08128913
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 140 | 140 | # generated using pymatgen
data_Ca5Ga3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95388600
_cell_length_b 7.95388600
_cell_length_c 14.90524401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,513 | 896 | mp-8577 | -0.672339 | 0 | Sc3GaC | 0 | ['Sc', 'Ga', 'C'] | # generated using pymatgen
data_Sc3GaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48320500
_cell_length_b 4.48320500
_cell_length_c 4.48320500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_Sc3GaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48320500
_cell_length_b 4.48320500
_cell_length_c 4.48320500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,514 | 10,162 | mp-1215946 | -3.869878 | 0 | YU2O6 | 0 | ['O', 'U', 'Y'] | # generated using pymatgen
data_YU2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56791540
_cell_length_b 6.56791540
_cell_length_c 6.56791540
_cell_angle_alpha 146.17787003
_cell_angle_beta 131.55266887
_cell_angle_gamma 60.39104317
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 71 | 71 | # generated using pymatgen
data_YU2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82104200
_cell_length_b 5.38962800
_cell_length_c 11.35348400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,515 | 12,683 | mp-1222719 | -3.076791 | 2.7433 | LaTiSbO6 | 0 | ['La', 'O', 'Sb', 'Ti'] | # generated using pymatgen
data_LaTiSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29088404
_cell_length_b 5.29088404
_cell_length_c 5.18680600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000051
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 149 | 149 | # generated using pymatgen
data_LaTiSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29088404
_cell_length_b 5.29088404
_cell_length_c 5.18680600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,516 | 23,624 | mp-1188151 | -0.351807 | 0 | SmGa2Co3 | 0.005753 | ['Co', 'Ga', 'Sm'] | # generated using pymatgen
data_SmGa2Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85013200
_cell_length_b 9.06518928
_cell_length_c 9.05254587
_cell_angle_alpha 120.04621168
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 191 | 191 | # generated using pymatgen
data_SmGa2Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05254591
_cell_length_b 9.05254591
_cell_length_c 3.85013200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,517 | 27,389 | mp-636291 | -0.215192 | 0 | PuGa6 | 0.011929 | ['Ga', 'Pu'] | # generated using pymatgen
data_PuGa6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89351700
_cell_length_b 5.89351700
_cell_length_c 7.68764900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 125 | 125 | # generated using pymatgen
data_PuGa6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89351700
_cell_length_b 5.89351700
_cell_length_c 7.68764900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
24,518 | 33,403 | mp-754041 | -3.938317 | 3.1513 | Gd2HfO5 | 0.028685 | ['Gd', 'Hf', 'O'] | # generated using pymatgen
data_Gd2HfO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07581185
_cell_length_b 6.07581185
_cell_length_c 10.97259900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 140.08260099
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_Gd2HfO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14786800
_cell_length_b 11.42178399
_cell_length_c 10.97259900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,519 | 42,854 | mp-676296 | -2.121403 | 0 | U(BiO2)4 | 0.06691 | ['Bi', 'O', 'U'] | # generated using pymatgen
data_U(BiO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.43024984
_cell_length_b 14.43024984
_cell_length_c 14.43024984
_cell_angle_alpha 164.68531458
_cell_angle_beta 164.24921695
_cell_angle_gamma 22.03707185
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 71 | 71 | # generated using pymatgen
data_U(BiO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84561400
_cell_length_b 3.95444000
_cell_length_c 28.32846800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,520 | 33,767 | mp-1226230 | 0.029948 | 0 | CrFe4 | 0.029948 | ['Cr', 'Fe'] | # generated using pymatgen
data_CrFe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25203860
_cell_length_b 10.15616126
_cell_length_c 2.45364151
_cell_angle_alpha 85.32315413
_cell_angle_beta 80.87674401
_cell_angle_gamma 13.80010186
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 69 | 69 | # generated using pymatgen
data_CrFe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.85085000
_cell_length_b 3.99425600
_cell_length_c 20.11126800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,521 | 19,494 | mp-996962 | -1.1068 | 0.5349 | LiAgO2 | 0 | ['Ag', 'Li', 'O'] | # generated using pymatgen
data_LiAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76846500
_cell_length_b 4.77505900
_cell_length_c 5.40112942
_cell_angle_alpha 82.27600732
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_LiAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77505900
_cell_length_b 3.76846500
_cell_length_c 5.40112942
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.72399268
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,522 | 24,973 | mp-977126 | -0.149234 | 0 | Li3Ag | 0.007788 | ['Li', 'Ag'] | # generated using pymatgen
data_Li3Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81477536
_cell_length_b 5.81477536
_cell_length_c 4.70364400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999277
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Li3Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81477536
_cell_length_b 5.81477536
_cell_length_c 4.70364400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,523 | 822 | mp-865152 | -0.833765 | 0 | MgAlPd2 | 0 | ['Mg', 'Al', 'Pd'] | # generated using pymatgen
data_MgAlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41694534
_cell_length_b 4.41694534
_cell_length_c 4.41694534
_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_MgAlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24650400
_cell_length_b 6.24650400
_cell_length_c 6.24650400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,524 | 35,034 | mp-1094604 | -0.023355 | 0 | LiMg2 | 0.034008 | ['Li', 'Mg'] | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91768776
_cell_length_b 5.91768776
_cell_length_c 7.43610214
_cell_angle_alpha 75.56927825
_cell_angle_beta 75.56927825
_cell_angle_gamma 31.31323551
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 8 | 8 | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.39624000
_cell_length_b 3.19403000
_cell_length_c 7.43610214
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.99958636
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,525 | 41,879 | mp-753515 | -1.858393 | 2.3861 | Sb3O4F | 0.061928 | ['F', 'O', 'Sb'] | # generated using pymatgen
data_Sb3O4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.31623088
_cell_length_b 9.31623088
_cell_length_c 5.66185830
_cell_angle_alpha 78.29979542
_cell_angle_beta 78.29979542
_cell_angle_gamma 34.04998201
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 9 | 9 | # generated using pymatgen
data_Sb3O4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.81593399
_cell_length_b 5.45537600
_cell_length_c 5.66185830
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.24456436
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,526 | 27,408 | mp-753304 | 0.012304 | 0.6321 | Hg | 0.012304 | ['Hg'] | # generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58561121
_cell_length_b 3.58561121
_cell_length_c 3.58561121
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg
_... | 225 | 225 | # generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07082000
_cell_length_b 5.07082000
_cell_length_c 5.07082000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg
_... |
24,527 | 11,817 | mp-3053 | -0.606993 | 0 | DyAlNi | 0 | ['Dy', 'Al', 'Ni'] | # generated using pymatgen
data_DyAlNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93116974
_cell_length_b 6.93116974
_cell_length_c 3.91543800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999754
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_DyAlNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93116974
_cell_length_b 6.93116974
_cell_length_c 3.91543800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,528 | 41,011 | mp-1026927 | -1.068925 | 0.6972 | Mo3W(SeS)4 | 0.058948 | ['Mo', 'S', 'Se', 'W'] | # generated using pymatgen
data_Mo3W(SeS)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25232246
_cell_length_b 3.25232246
_cell_length_c 36.85370700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000928
_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 3.25232246
_cell_length_b 3.25232246
_cell_length_c 36.85370700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,529 | 41,921 | mp-756500 | -1.878359 | 3.7064 | Sr2CaI6 | 0.062325 | ['Ca', 'I', 'Sr'] | # generated using pymatgen
data_Sr2CaI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.26638793
_cell_length_b 13.26638793
_cell_length_c 8.77113873
_cell_angle_alpha 79.11148003
_cell_angle_beta 79.11148003
_cell_angle_gamma 33.52340436
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 15 | 15 | # generated using pymatgen
data_Sr2CaI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 25.40546399
_cell_length_b 7.65183600
_cell_length_c 8.77113873
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.37798404
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,530 | 34,250 | mp-1223946 | -0.51632 | 0 | Hf2Ga3Ni | 0.030864 | ['Ga', 'Hf', 'Ni'] | # generated using pymatgen
data_Hf2Ga3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15484300
_cell_length_b 5.34473456
_cell_length_c 5.29614507
_cell_angle_alpha 92.18536131
_cell_angle_beta 113.09466881
_cell_angle_gamma 67.12726587
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 8 | 8 | # generated using pymatgen
data_Hf2Ga3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74340281
_cell_length_b 4.15484300
_cell_length_c 6.44293587
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.77007894
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,531 | 32,713 | mp-1221281 | -1.280693 | 0.2788 | Na2UI6 | 0.025887 | ['I', 'Na', 'U'] | # generated using pymatgen
data_Na2UI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62888628
_cell_length_b 8.62888628
_cell_length_c 8.62888710
_cell_angle_alpha 54.62568092
_cell_angle_beta 54.62568092
_cell_angle_gamma 54.62567850
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 146 | 146 | # generated using pymatgen
data_Na2UI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.91870635
_cell_length_b 7.91870635
_cell_length_c 21.95453056
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,532 | 41,597 | mp-1119334 | -1.540191 | 0.7721 | W(BrO)2 | 0.061226 | ['Br', 'O', 'W'] | # generated using pymatgen
data_W(BrO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85151200
_cell_length_b 7.70130200
_cell_length_c 9.00657900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 51 | 51 | # generated using pymatgen
data_W(BrO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85151200
_cell_length_b 7.70130200
_cell_length_c 9.00657900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,533 | 42,041 | mp-1094676 | -0.06797 | 0 | Mg3Bi | 0.064224 | ['Bi', 'Mg'] | # generated using pymatgen
data_Mg3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67393114
_cell_length_b 5.67393114
_cell_length_c 5.67393114
_cell_angle_alpha 131.80046273
_cell_angle_beta 131.80046273
_cell_angle_gamma 70.54435746
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Mg3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63363600
_cell_length_b 4.63363600
_cell_length_c 9.26460000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
24,534 | 17,035 | mp-1078829 | -2.212622 | 0.0886 | Gd2Cl3 | 0 | ['Cl', 'Gd'] | # generated using pymatgen
data_Gd2Cl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88546300
_cell_length_b 7.88546300
_cell_length_c 10.17197073
_cell_angle_alpha 63.73057507
_cell_angle_beta 63.73057507
_cell_angle_gamma 28.77320625
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Gd2Cl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.27637000
_cell_length_b 3.91849800
_cell_length_c 10.17197073
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.18861545
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,535 | 33,387 | mp-6944 | -2.951235 | 0 | LiTiO2 | 0.028087 | ['Li', 'O', 'Ti'] | # generated using pymatgen
data_LiTiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93215638
_cell_length_b 5.93215638
_cell_length_c 5.93215638
_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_LiTiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38933601
_cell_length_b 8.38933601
_cell_length_c 8.38933601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,536 | 4,029 | mp-10328 | -1.761056 | 0 | LaCrS3 | 0 | ['Cr', 'La', 'S'] | # generated using pymatgen
data_LaCrS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82887000
_cell_length_b 7.88366300
_cell_length_c 13.14069500
_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_LaCrS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82887000
_cell_length_b 7.88366300
_cell_length_c 13.14069500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,537 | 34,996 | mvc-2186 | -1.308267 | 1.1288 | TeO3 | 0.033415 | ['O', 'Te'] | # generated using pymatgen
data_TeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10700400
_cell_length_b 5.27332600
_cell_length_c 7.37632300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te... | 62 | 62 | # generated using pymatgen
data_TeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10700400
_cell_length_b 5.27332600
_cell_length_c 7.37632300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te... |
24,538 | 8,060 | mp-1104183 | -0.653622 | 0.5716 | Mn(BiSe2)2 | 0 | ['Bi', 'Mn', 'Se'] | # generated using pymatgen
data_Mn(BiSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98447118
_cell_length_b 6.98447118
_cell_length_c 15.39894099
_cell_angle_alpha 65.63738264
_cell_angle_beta 65.63738264
_cell_angle_gamma 34.25161707
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 12 | 12 | # generated using pymatgen
data_Mn(BiSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.34956601
_cell_length_b 4.11344600
_cell_length_c 15.39894099
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.57227406
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,539 | 43,732 | mp-1227879 | -0.340059 | 0 | Ce10(NiSn)3 | 0.071153 | ['Ce', 'Ni', 'Sn'] | # generated using pymatgen
data_Ce10(NiSn)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70720912
_cell_length_b 8.36320006
_cell_length_c 7.97909428
_cell_angle_alpha 64.33964811
_cell_angle_beta 59.97015221
_cell_angle_gamma 55.69019968
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 42 | 42 | # generated using pymatgen
data_Ce10(NiSn)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.75114600
_cell_length_b 11.79307600
_cell_length_c 12.81348200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
24,540 | 25,055 | mp-1104141 | -0.855104 | 1.7615 | Ga2PbSe4 | 0.008581 | ['Ga', 'Pb', 'Se'] | # generated using pymatgen
data_Ga2PbSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33507304
_cell_length_b 6.33507304
_cell_length_c 11.06415500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.89642746
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 66 | 66 | # generated using pymatgen
data_Ga2PbSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34498800
_cell_length_b 10.96693800
_cell_length_c 11.06415500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,541 | 4,023 | mp-1025242 | -0.447608 | 0 | ScGa5Co | 0 | ['Sc', 'Ga', 'Co'] | # generated using pymatgen
data_ScGa5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15601700
_cell_length_b 4.15601700
_cell_length_c 6.62403400
_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_ScGa5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15601700
_cell_length_b 4.15601700
_cell_length_c 6.62403400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,542 | 32,510 | mp-1025278 | -0.50936 | 0 | V2CrTe4 | 0.026335 | ['V', 'Cr', 'Te'] | # generated using pymatgen
data_V2CrTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33319943
_cell_length_b 7.33319943
_cell_length_c 6.82702994
_cell_angle_alpha 64.53556804
_cell_angle_beta 64.53556804
_cell_angle_gamma 31.22109709
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_V2CrTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.12540000
_cell_length_b 3.94668600
_cell_length_c 6.82702994
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.51407848
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,543 | 27,132 | mp-1188644 | -0.335386 | 0 | Lu5In3 | 0.01222 | ['In', 'Lu'] | # generated using pymatgen
data_Lu5In3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50061001
_cell_length_b 8.85647000
_cell_length_c 8.86658974
_cell_angle_alpha 119.96225823
_cell_angle_beta 90.00258631
_cell_angle_gamma 89.99483651
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Lu5In3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86152946
_cell_length_b 8.86152946
_cell_length_c 6.50061001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,544 | 40,948 | mp-765804 | -3.076351 | 3.5211 | Li6VF8 | 0.056395 | ['F', 'Li', 'V'] | # generated using pymatgen
data_Li6VF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_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_Li6VF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.39876600
_cell_length_b 8.39876600
_cell_length_c 8.39876600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,545 | 26,412 | mp-753222 | -1.576091 | 1.5511 | Fe2CoO4 | 0.01023 | ['Co', 'Fe', 'O'] | # generated using pymatgen
data_Fe2CoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05516184
_cell_length_b 6.05516184
_cell_length_c 6.05516184
_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_Fe2CoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56329200
_cell_length_b 8.56329200
_cell_length_c 8.56329200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,546 | 25,974 | mp-975515 | -0.080469 | 0 | NdLuMg2 | 0.009109 | ['Nd', 'Lu', 'Mg'] | # generated using pymatgen
data_NdLuMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38252510
_cell_length_b 5.38252510
_cell_length_c 5.38252510
_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_NdLuMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61204000
_cell_length_b 7.61204000
_cell_length_c 7.61204000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,547 | 23,020 | mp-1070646 | -0.541676 | 0 | Dy2AlNi2 | 0.004207 | ['Al', 'Dy', 'Ni'] | # generated using pymatgen
data_Dy2AlNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41960771
_cell_length_b 5.41960771
_cell_length_c 5.41960771
_cell_angle_alpha 135.88702228
_cell_angle_beta 119.21751445
_cell_angle_gamma 78.10638571
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Dy2AlNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07034800
_cell_length_b 5.48358000
_cell_length_c 8.41731599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,548 | 41,375 | mp-715474 | -1.865021 | 0.505 | MoO3 | 0.059553 | ['Mo', 'O'] | # generated using pymatgen
data_MoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20367300
_cell_length_b 5.32089500
_cell_length_c 9.18954546
_cell_angle_alpha 73.78100441
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo... | 7 | 7 | # generated using pymatgen
data_MoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32089500
_cell_length_b 5.20367300
_cell_length_c 9.18954546
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.21899559
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
24,549 | 18,507 | mp-1025158 | -2.750378 | 0 | K2PuO4 | 0 | ['K', 'Pu', 'O'] | # generated using pymatgen
data_K2PuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35004981
_cell_length_b 7.35004981
_cell_length_c 7.35004981
_cell_angle_alpha 145.66256570
_cell_angle_beta 145.66256570
_cell_angle_gamma 49.34823918
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_K2PuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33927000
_cell_length_b 4.33927000
_cell_length_c 13.35793399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,550 | 37,673 | mp-1215223 | -0.713415 | 0 | ZrNbB2 | 0.043427 | ['B', 'Nb', 'Zr'] | # generated using pymatgen
data_ZrNbB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90121297
_cell_length_b 4.90121297
_cell_length_c 3.19297400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 139.07524706
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_ZrNbB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42685200
_cell_length_b 9.18391200
_cell_length_c 3.19297400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,551 | 36,785 | mp-1258114 | -2.951053 | 1.6355 | Ca2AlMoO5 | 0.041141 | ['Al', 'Ca', 'Mo', 'O'] | # generated using pymatgen
data_Ca2AlMoO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.25895965
_cell_length_b 8.25895965
_cell_length_c 5.65364485
_cell_angle_alpha 71.47916136
_cell_angle_beta 71.47916136
_cell_angle_gamma 42.10823781
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 9 | 9 | # generated using pymatgen
data_Ca2AlMoO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.41520799
_cell_length_b 5.93405600
_cell_length_c 5.65364485
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.89955713
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,552 | 44,440 | mp-772822 | -1.474579 | 0 | Li3Cu3TeO8 | 0.073575 | ['Cu', 'Li', 'O', 'Te'] | # generated using pymatgen
data_Li3Cu3TeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03290334
_cell_length_b 6.03290334
_cell_length_c 6.03290358
_cell_angle_alpha 60.33517752
_cell_angle_beta 60.33517752
_cell_angle_gamma 60.33518384
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Li3Cu3TeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06344177
_cell_length_b 6.06344177
_cell_length_c 14.73999110
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,553 | 37,517 | mp-1039222 | -0.05457 | 0 | MgCd | 0.044361 | ['Cd', 'Mg'] | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06870609
_cell_length_b 6.06870609
_cell_length_c 7.31411199
_cell_angle_alpha 75.87935765
_cell_angle_beta 75.87935765
_cell_angle_gamma 30.55556469
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | 8 | 8 | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.70847201
_cell_length_b 3.19819600
_cell_length_c 7.31411199
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.64930792
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,554 | 15,977 | mp-8812 | -3.044761 | 5.9774 | Rb2GeF6 | 0 | ['Rb', 'Ge', 'F'] | # generated using pymatgen
data_Rb2GeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17307190
_cell_length_b 6.17307190
_cell_length_c 6.17307190
_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_Rb2GeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.73004200
_cell_length_b 8.73004200
_cell_length_c 8.73004200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,555 | 16,964 | mp-865948 | -0.657343 | 0 | Ti2ReRh | 0 | ['Ti', 'Re', 'Rh'] | # generated using pymatgen
data_Ti2ReRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40070734
_cell_length_b 4.40070734
_cell_length_c 4.40070734
_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_Ti2ReRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22354000
_cell_length_b 6.22354000
_cell_length_c 6.22354000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,556 | 325 | mp-554811 | -3.292328 | 1.4396 | TbVO3 | 0 | ['O', 'Tb', 'V'] | # generated using pymatgen
data_TbVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35105400
_cell_length_b 5.75067200
_cell_length_c 7.66421100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 62 | 62 | # generated using pymatgen
data_TbVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35105400
_cell_length_b 5.75067200
_cell_length_c 7.66421100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,557 | 35,745 | mp-1223231 | -0.540048 | 0 | KTl(CoSe)4 | 0.035964 | ['Co', 'K', 'Se', 'Tl'] | # generated using pymatgen
data_KTl(CoSe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89064100
_cell_length_b 3.89064100
_cell_length_c 13.30872100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 123 | 123 | # generated using pymatgen
data_KTl(CoSe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89064100
_cell_length_b 3.89064100
_cell_length_c 13.30872100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,558 | 11,423 | mp-7573 | -0.458453 | 0 | Co(BW)2 | 0 | ['Co', 'B', 'W'] | # generated using pymatgen
data_Co(BW)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52250889
_cell_length_b 4.52250889
_cell_length_c 4.52250889
_cell_angle_alpha 138.73673303
_cell_angle_beta 119.14206571
_cell_angle_gamma 76.19230545
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 71 | 71 | # generated using pymatgen
data_Co(BW)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18708800
_cell_length_b 4.58102800
_cell_length_c 7.11821601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,559 | 29,872 | mp-35205 | -1.910036 | 1.6045 | LiErSe2 | 0.018637 | ['Er', 'Li', 'Se'] | # generated using pymatgen
data_LiErSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01473122
_cell_length_b 7.01473122
_cell_length_c 7.01473122
_cell_angle_alpha 132.50765244
_cell_angle_beta 132.50765244
_cell_angle_gamma 69.42841715
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 141 | 141 | # generated using pymatgen
data_LiErSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64946200
_cell_length_b 5.64946200
_cell_length_c 11.53225800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,560 | 38,087 | mp-11722 | -0.618827 | 0 | PrGe2 | 0.045522 | ['Pr', 'Ge'] | # generated using pymatgen
data_PrGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.65372619
_cell_length_b 8.65372619
_cell_length_c 8.65372619
_cell_angle_alpha 151.94453208
_cell_angle_beta 151.94453208
_cell_angle_gamma 40.09430956
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_PrGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19518000
_cell_length_b 4.19518000
_cell_length_c 16.25880800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,561 | 20,908 | mp-646586 | -0.203488 | 0 | Sm6InCo2 | 0.000437 | ['Co', 'In', 'Sm'] | # generated using pymatgen
data_Sm6InCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54934451
_cell_length_b 8.54934451
_cell_length_c 8.54934451
_cell_angle_alpha 112.41609455
_cell_angle_beta 108.85596855
_cell_angle_gamma 107.18630266
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Sm6InCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.50993000
_cell_length_b 9.94674800
_cell_length_c 10.14833000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,562 | 40,395 | mp-753550 | -2.082434 | 0 | Mn5O5F | 0.054305 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn5O5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53699206
_cell_length_b 3.53699206
_cell_length_c 14.32262600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000122
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_Mn5O5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53699206
_cell_length_b 3.53699206
_cell_length_c 14.32262600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,563 | 10,733 | mp-20730 | -0.406364 | 0 | HfCo2Sn | 0 | ['Hf', 'Co', 'Sn'] | # generated using pymatgen
data_HfCo2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42133081
_cell_length_b 4.42133081
_cell_length_c 4.42133081
_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_HfCo2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25270600
_cell_length_b 6.25270600
_cell_length_c 6.25270600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,564 | 4,448 | mp-866067 | -0.412202 | 0 | Nd2CdIn | 0 | ['Nd', 'Cd', 'In'] | # generated using pymatgen
data_Nd2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48286355
_cell_length_b 5.48286355
_cell_length_c 5.48286355
_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_Nd2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75393999
_cell_length_b 7.75393999
_cell_length_c 7.75393999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,565 | 18,805 | mp-3633 | -0.431422 | 0 | Er(Al2Fe)4 | 0 | ['Al', 'Er', 'Fe'] | # generated using pymatgen
data_Er(Al2Fe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62843325
_cell_length_b 6.62843325
_cell_length_c 6.62843325
_cell_angle_alpha 98.23532746
_cell_angle_beta 98.23532746
_cell_angle_gamma 135.52217230
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Er(Al2Fe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67672200
_cell_length_b 8.67672200
_cell_length_c 5.01732000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,566 | 15,823 | mp-30851 | -0.941713 | 0 | Ti3Pt5 | 0 | ['Ti', 'Pt'] | # generated using pymatgen
data_Ti3Pt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43133015
_cell_length_b 7.43133015
_cell_length_c 7.43133015
_cell_angle_alpha 136.61311440
_cell_angle_beta 112.50656167
_cell_angle_gamma 83.71228705
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 72 | 72 | # generated using pymatgen
data_Ti3Pt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49384000
_cell_length_b 8.25654401
_cell_length_c 11.07004401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,567 | 12,270 | mp-23818 | -0.613263 | 2.5084 | BaLiH3 | 0 | ['Ba', 'Li', 'H'] | # generated using pymatgen
data_BaLiH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01875800
_cell_length_b 4.01875800
_cell_length_c 4.01875800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_BaLiH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01875800
_cell_length_b 4.01875800
_cell_length_c 4.01875800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,568 | 36,713 | mp-1219286 | -2.26892 | 3.107 | ScSb(PbO3)2 | 0.040423 | ['O', 'Pb', 'Sb', 'Sc'] | # generated using pymatgen
data_ScSb(PbO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79142253
_cell_length_b 5.79142253
_cell_length_c 5.79142253
_cell_angle_alpha 120.13695186
_cell_angle_beta 119.81462703
_cell_angle_gamma 90.04216553
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 44 | 44 | # generated using pymatgen
data_ScSb(PbO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77943000
_cell_length_b 5.80764200
_cell_length_c 8.18729400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,569 | 19,509 | mp-1019279 | -0.51932 | 0 | SrZnSn | 0 | ['Sr', 'Zn', 'Sn'] | # generated using pymatgen
data_SrZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67052139
_cell_length_b 4.67052139
_cell_length_c 9.10970900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999140
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_SrZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67052139
_cell_length_b 4.67052139
_cell_length_c 9.10970900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,570 | 6,014 | mp-1025478 | -0.714529 | 0 | TbAu3 | 0 | ['Tb', 'Au'] | # generated using pymatgen
data_TbAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08666100
_cell_length_b 5.20778100
_cell_length_c 6.17847200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 59 | 59 | # generated using pymatgen
data_TbAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08666100
_cell_length_b 5.20778100
_cell_length_c 6.17847200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,571 | 32,804 | mp-1516784 | -2.915537 | 0 | Sr2CeBiO6 | 0.027068 | ['Bi', 'Ce', 'O', 'Sr'] | # generated using pymatgen
data_Sr2CeBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03216940
_cell_length_b 6.22938287
_cell_length_c 8.65656709
_cell_angle_alpha 89.98396887
_cell_angle_beta 89.90805091
_cell_angle_gamma 90.00080486
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2CeBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03216940
_cell_length_b 6.22938287
_cell_length_c 10.55892141
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.93188480
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,572 | 41,259 | mp-1227842 | -3.112632 | 1.8053 | BaLaTiFeO6 | 0.059951 | ['Ba', 'Fe', 'La', 'O', 'Ti'] | # generated using pymatgen
data_BaLaTiFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65273465
_cell_length_b 5.65273465
_cell_length_c 9.79082279
_cell_angle_alpha 73.22134800
_cell_angle_beta 73.22134800
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 216 | 216 | # generated using pymatgen
data_BaLaTiFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99417384
_cell_length_b 7.99417384
_cell_length_c 7.99417384
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,573 | 36,988 | mp-998227 | -2.947424 | 0 | KHfO3 | 0.040901 | ['Hf', 'K', 'O'] | # generated using pymatgen
data_KHfO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17795400
_cell_length_b 4.17795400
_cell_length_c 4.17795400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 221 | 221 | # generated using pymatgen
data_KHfO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17795400
_cell_length_b 4.17795400
_cell_length_c 4.17795400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... |
24,574 | 10,938 | mp-863696 | -0.271871 | 0 | Pm2MgSi | 0 | ['Pm', 'Mg', 'Si'] | # generated using pymatgen
data_Pm2MgSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21218874
_cell_length_b 5.21218874
_cell_length_c 5.21218874
_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_Pm2MgSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37114801
_cell_length_b 7.37114801
_cell_length_c 7.37114801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,575 | 9,656 | mp-1207913 | -1.473973 | 0 | UNbN2 | 0 | ['N', 'Nb', 'U'] | # generated using pymatgen
data_UNbN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24081800
_cell_length_b 5.67171100
_cell_length_c 11.06197900
_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_UNbN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24081800
_cell_length_b 5.67171100
_cell_length_c 11.06197900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,576 | 11,005 | mp-1008865 | -0.338722 | 0 | NdCd2 | 0 | ['Cd', 'Nd'] | # generated using pymatgen
data_NdCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11310627
_cell_length_b 5.11310627
_cell_length_c 3.45230300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000349
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_NdCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11310627
_cell_length_b 5.11310627
_cell_length_c 3.45230300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,577 | 32,626 | mp-1186774 | 0.027154 | 0 | SrYb3 | 0.027154 | ['Sr', 'Yb'] | # generated using pymatgen
data_SrYb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58696900
_cell_length_b 5.58696900
_cell_length_c 5.58696900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 221 | 221 | # generated using pymatgen
data_SrYb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58696900
_cell_length_b 5.58696900
_cell_length_c 5.58696900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
24,578 | 31,916 | mp-755577 | -2.004872 | 0 | Li3Mn4CoO8 | 0.022978 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li3Mn4CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02525743
_cell_length_b 6.02525743
_cell_length_c 6.13176790
_cell_angle_alpha 59.51528961
_cell_angle_beta 59.51528961
_cell_angle_gamma 61.14592723
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Li3Mn4CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.37527801
_cell_length_b 6.12931600
_cell_length_c 6.13176790
_cell_angle_alpha 90.00000000
_cell_angle_beta 126.10171958
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,579 | 16,485 | mp-978564 | -0.37979 | 0 | SmYTl2 | 0 | ['Sm', 'Y', 'Tl'] | # generated using pymatgen
data_SmYTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42148103
_cell_length_b 5.42148103
_cell_length_c 5.42148103
_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_SmYTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66713200
_cell_length_b 7.66713200
_cell_length_c 7.66713200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,580 | 43,289 | mp-19044 | -1.351128 | 1.1589 | Na2FeO4 | 0.070713 | ['Fe', 'Na', 'O'] | # generated using pymatgen
data_Na2FeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52357501
_cell_length_b 5.52357469
_cell_length_c 7.22498100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 115.56100111
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Na2FeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88994506
_cell_length_b 9.34601860
_cell_length_c 7.22498100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,581 | 23,785 | mp-14474 | -0.951607 | 0 | Ta2PtSe7 | 0.005938 | ['Pt', 'Se', 'Ta'] | # generated using pymatgen
data_Ta2PtSe7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04898698
_cell_length_b 8.04898698
_cell_length_c 18.99588440
_cell_angle_alpha 71.11935060
_cell_angle_beta 71.11935060
_cell_angle_gamma 25.65408014
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Ta2PtSe7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.69624401
_cell_length_b 3.57389000
_cell_length_c 18.99588440
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.38292646
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,582 | 37,893 | mp-753683 | -2.161203 | 2.296 | Sn2OF2 | 0.045009 | ['F', 'O', 'Sn'] | # generated using pymatgen
data_Sn2OF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04110200
_cell_length_b 8.04110200
_cell_length_c 5.64574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 137 | 137 | # generated using pymatgen
data_Sn2OF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04110200
_cell_length_b 8.04110200
_cell_length_c 5.64574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,583 | 29,433 | mp-756243 | -2.981315 | 1.6285 | Li2MnF5 | 0.016914 | ['F', 'Li', 'Mn'] | # generated using pymatgen
data_Li2MnF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34835468
_cell_length_b 5.34835468
_cell_length_c 9.72933300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.91310700
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Li2MnF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10094600
_cell_length_b 9.87936400
_cell_length_c 9.72933300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,584 | 5,530 | mp-10739 | -1.01704 | 0 | TiPRu | 0 | ['Ti', 'P', 'Ru'] | # generated using pymatgen
data_TiPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26706432
_cell_length_b 6.26706432
_cell_length_c 3.67304900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000337
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_TiPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26706432
_cell_length_b 6.26706432
_cell_length_c 3.67304900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,585 | 42,164 | mp-1211240 | -3.452207 | 0 | KThTi2O6 | 0.064104 | ['K', 'O', 'Th', 'Ti'] | # generated using pymatgen
data_KThTi2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95625400
_cell_length_b 3.95625400
_cell_length_c 7.84261900
_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_KThTi2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95625400
_cell_length_b 3.95625400
_cell_length_c 7.84261900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,586 | 17,836 | mp-36508 | -2.410244 | 2.4327 | SnHgF6 | 0 | ['Sn', 'Hg', 'F'] | # generated using pymatgen
data_SnHgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04769224
_cell_length_b 6.04769224
_cell_length_c 6.04769216
_cell_angle_alpha 55.42593412
_cell_angle_beta 55.42593412
_cell_angle_gamma 55.42592559
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_SnHgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62486638
_cell_length_b 5.62486638
_cell_length_c 15.30535397
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,587 | 42,314 | mp-21263 | -0.672356 | 0 | PuSb | 0.065013 | ['Pu', 'Sb'] | # generated using pymatgen
data_PuSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76978200
_cell_length_b 3.76978200
_cell_length_c 3.76978200
_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_PuSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76978200
_cell_length_b 3.76978200
_cell_length_c 3.76978200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pu... |
24,588 | 31,800 | mp-1518025 | -2.288026 | 0.8219 | BaCaInBiO6 | 0.023842 | ['Ba', 'Bi', 'Ca', 'In', 'O'] | # generated using pymatgen
data_BaCaInBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92834013
_cell_length_b 6.00442145
_cell_length_c 8.42530352
_cell_angle_alpha 90.14522455
_cell_angle_beta 89.88303272
_cell_angle_gamma 89.81555184
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_BaCaInBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92834013
_cell_length_b 6.00442145
_cell_length_c 8.42530352
_cell_angle_alpha 90.14522455
_cell_angle_beta 90.11696728
_cell_angle_gamma 90.18444816
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,589 | 165 | mp-16796 | -2.828881 | 0.2584 | Sr2GdRuO6 | 0 | ['Gd', 'O', 'Ru', 'Sr'] | # generated using pymatgen
data_Sr2GdRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91895200
_cell_length_b 5.83740100
_cell_length_c 10.09906160
_cell_angle_alpha 55.15522727
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 14 | 14 | # generated using pymatgen
data_Sr2GdRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83740100
_cell_length_b 5.91895200
_cell_length_c 10.09906160
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.84477273
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,590 | 15,932 | mp-790 | -1.083605 | 0 | LuPt3 | 0 | ['Lu', 'Pt'] | # generated using pymatgen
data_LuPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07784700
_cell_length_b 4.07784700
_cell_length_c 4.07784700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 221 | 221 | # generated using pymatgen
data_LuPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07784700
_cell_length_b 4.07784700
_cell_length_c 4.07784700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
24,591 | 11,160 | mp-1209219 | -1.912274 | 2.2919 | RbNbCl6 | 0 | ['Cl', 'Nb', 'Rb'] | # generated using pymatgen
data_RbNbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02721679
_cell_length_b 7.02721679
_cell_length_c 12.62970908
_cell_angle_alpha 79.27420667
_cell_angle_beta 79.27420667
_cell_angle_gamma 55.40981998
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_RbNbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.44314600
_cell_length_b 6.53415800
_cell_length_c 12.62970908
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.13457487
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,592 | 12,817 | mp-505604 | -2.449596 | 0 | GdNiO3 | 0 | ['Gd', 'Ni', 'O'] | # generated using pymatgen
data_GdNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30707000
_cell_length_b 5.56812300
_cell_length_c 7.58878900
_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_GdNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30707000
_cell_length_b 5.56812300
_cell_length_c 7.58878900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,593 | 7,615 | mp-1187571 | -1.18915 | 0 | YbHoPt2 | 0 | ['Ho', 'Pt', 'Yb'] | # generated using pymatgen
data_YbHoPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88505144
_cell_length_b 4.88505144
_cell_length_c 4.88505144
_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_YbHoPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90850600
_cell_length_b 6.90850600
_cell_length_c 6.90850600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,594 | 28,202 | mp-1218739 | -3.054276 | 3.1367 | Sr2NbGaO6 | 0.014333 | ['Ga', 'Nb', 'O', 'Sr'] | # generated using pymatgen
data_Sr2NbGaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65714275
_cell_length_b 5.65714275
_cell_length_c 5.65714275
_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_Sr2NbGaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00040800
_cell_length_b 8.00040800
_cell_length_c 8.00040800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,595 | 34,773 | mp-1229172 | -1.132752 | 0.4156 | Cs2GaFeS4 | 0.033389 | ['Cs', 'Fe', 'Ga', 'S'] | # generated using pymatgen
data_Cs2GaFeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28830274
_cell_length_b 7.28830274
_cell_length_c 5.78344719
_cell_angle_alpha 78.78689336
_cell_angle_beta 78.78689336
_cell_angle_gamma 117.39047861
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 5 | 5 | # generated using pymatgen
data_Cs2GaFeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57386000
_cell_length_b 12.45448000
_cell_length_c 5.78344719
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.97822104
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,596 | 20,532 | mp-1079244 | -0.454591 | 0 | EuGa | 0.000437 | ['Eu', 'Ga'] | # generated using pymatgen
data_EuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85653200
_cell_length_b 6.26082301
_cell_length_c 6.49976072
_cell_angle_alpha 68.13632344
_cell_angle_beta 78.48763853
_cell_angle_gamma 85.11066594
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu... | 2 | 2 | # generated using pymatgen
data_EuGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85653200
_cell_length_b 6.26082301
_cell_length_c 6.49976072
_cell_angle_alpha 68.13632344
_cell_angle_beta 78.48763853
_cell_angle_gamma 85.11066594
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu... |
24,597 | 40,641 | mp-1188995 | -0.381556 | 0 | Cr2B2Ir | 0.056782 | ['B', 'Cr', 'Ir'] | # generated using pymatgen
data_Cr2B2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90562200
_cell_length_b 7.20725400
_cell_length_c 9.33298000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 58 | 58 | # generated using pymatgen
data_Cr2B2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90562200
_cell_length_b 7.20725400
_cell_length_c 9.33298000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,598 | 14,439 | mp-865108 | -0.361656 | 0 | NaSmHg2 | 0 | ['Na', 'Sm', 'Hg'] | # generated using pymatgen
data_NaSmHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25505072
_cell_length_b 5.25505072
_cell_length_c 5.25505072
_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_NaSmHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43176400
_cell_length_b 7.43176400
_cell_length_c 7.43176400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,599 | 39,726 | mp-1224385 | -0.655466 | 0 | HfAlPd | 0.05199 | ['Al', 'Hf', 'Pd'] | # generated using pymatgen
data_HfAlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29147330
_cell_length_b 5.29147330
_cell_length_c 8.40705300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.25912398
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_HfAlPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35061800
_cell_length_b 9.13069799
_cell_length_c 8.40705300
_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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