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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,400 | 19,249 | mp-19895 | -0.325313 | 0 | NiSb2 | 0 | ['Ni', 'Sb'] | # generated using pymatgen
data_NiSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80348100
_cell_length_b 5.35055000
_cell_length_c 6.31384500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 58 | 58 | # generated using pymatgen
data_NiSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80348100
_cell_length_b 5.35055000
_cell_length_c 6.31384500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
24,401 | 4,375 | mp-560067 | -0.548634 | 1.9335 | AgHgSBr | 0 | ['Ag', 'Br', 'Hg', 'S'] | # generated using pymatgen
data_AgHgSBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67754400
_cell_length_b 9.80469500
_cell_length_c 9.96308200
_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_AgHgSBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67754400
_cell_length_b 9.80469500
_cell_length_c 9.96308200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,402 | 19,125 | mp-1188640 | -0.774076 | 0 | Zr5Sn3As | 0 | ['As', 'Sn', 'Zr'] | # generated using pymatgen
data_Zr5Sn3As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70251829
_cell_length_b 8.70251829
_cell_length_c 5.96204000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000221
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_Zr5Sn3As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70251829
_cell_length_b 8.70251829
_cell_length_c 5.96204000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,403 | 8,276 | mp-2613 | -0.149118 | 0 | LaCu5 | 0 | ['Cu', 'La'] | # generated using pymatgen
data_LaCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16015088
_cell_length_b 5.16015088
_cell_length_c 4.13756200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001124
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_LaCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16015088
_cell_length_b 5.16015088
_cell_length_c 4.13756200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,404 | 44,676 | mp-1188815 | -1.418369 | 0 | U2CoS5 | 0.077708 | ['Co', 'S', 'U'] | # generated using pymatgen
data_U2CoS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75443108
_cell_length_b 7.75443108
_cell_length_c 6.92124575
_cell_angle_alpha 83.57306992
_cell_angle_beta 83.57306992
_cell_angle_gamma 45.49342213
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_U2CoS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.30263200
_cell_length_b 5.99662600
_cell_length_c 6.92124575
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.97153774
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,405 | 284 | mp-1103046 | -0.719575 | 0 | CaCdPt | 0 | ['Ca', 'Cd', 'Pt'] | # generated using pymatgen
data_CaCdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32546900
_cell_length_b 7.31456600
_cell_length_c 8.63142700
_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_CaCdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32546900
_cell_length_b 7.31456600
_cell_length_c 8.63142700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,406 | 17,447 | mp-864878 | -0.534098 | 0 | ZrAlAu2 | 0 | ['Zr', 'Al', 'Au'] | # generated using pymatgen
data_ZrAlAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71200261
_cell_length_b 4.71200261
_cell_length_c 4.71200261
_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_ZrAlAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66377800
_cell_length_b 6.66377800
_cell_length_c 6.66377800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,407 | 34,136 | mp-1187821 | -0.276731 | 0 | YbAg3 | 0.031331 | ['Ag', 'Yb'] | # generated using pymatgen
data_YbAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89618837
_cell_length_b 4.89618837
_cell_length_c 4.89618837
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 225 | 225 | # generated using pymatgen
data_YbAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92425600
_cell_length_b 6.92425600
_cell_length_c 6.92425600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
24,408 | 14,984 | mp-975271 | -1.480373 | 0 | RbTi5Se8 | 0 | ['Rb', 'Se', 'Ti'] | # generated using pymatgen
data_RbTi5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68450558
_cell_length_b 9.68450558
_cell_length_c 9.23866926
_cell_angle_alpha 75.53687353
_cell_angle_beta 75.53687353
_cell_angle_gamma 21.71194766
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_RbTi5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.02237799
_cell_length_b 3.64797600
_cell_length_c 9.23866926
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.73258797
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,409 | 13,693 | mp-1227481 | -2.829086 | 0.4993 | Ca2NdRuO6 | 0 | ['Ca', 'Nd', 'O', 'Ru'] | # generated using pymatgen
data_Ca2NdRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61089468
_cell_length_b 5.90082600
_cell_length_c 8.11438503
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.06092293
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 7 | 7 | # generated using pymatgen
data_Ca2NdRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61089468
_cell_length_b 5.90082600
_cell_length_c 9.86045441
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.62166920
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,410 | 12,708 | mp-13263 | -0.28716 | 0 | Ce2Mo2C3 | 0 | ['Ce', 'Mo', 'C'] | # generated using pymatgen
data_Ce2Mo2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30763361
_cell_length_b 6.30763361
_cell_length_c 5.78714582
_cell_angle_alpha 66.02479734
_cell_angle_beta 66.02479734
_cell_angle_gamma 30.85861383
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Ce2Mo2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.16060600
_cell_length_b 3.35628200
_cell_length_c 5.78714582
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.93144350
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,411 | 9,088 | mp-1113010 | -1.674431 | 2.9749 | Cs2LiNdI6 | 0 | ['Cs', 'I', 'Li', 'Nd'] | # generated using pymatgen
data_Cs2LiNdI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.66602494
_cell_length_b 8.66602494
_cell_length_c 8.66602494
_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_Cs2LiNdI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.25561000
_cell_length_b 12.25561000
_cell_length_c 12.25561000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,412 | 18,907 | mp-7032 | -0.968276 | 0 | HfMoP | 0 | ['Hf', 'Mo', 'P'] | # generated using pymatgen
data_HfMoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93142240
_cell_length_b 6.93142240
_cell_length_c 3.41441000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000383
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_HfMoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93142240
_cell_length_b 6.93142240
_cell_length_c 3.41441000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,413 | 36,501 | mp-1021518 | -1.047679 | 0.4197 | CsCr5S8 | 0.040249 | ['Cr', 'Cs', 'S'] | # generated using pymatgen
data_CsCr5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.35077941
_cell_length_b 9.35077941
_cell_length_c 8.91679287
_cell_angle_alpha 77.24123589
_cell_angle_beta 77.24123589
_cell_angle_gamma 21.65228387
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_CsCr5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.36870199
_cell_length_b 3.51270400
_cell_length_c 8.91679287
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.99397287
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,414 | 23,441 | mp-8496 | -3.426327 | 3.1477 | Sr2SmNbO6 | 0.004754 | ['Nb', 'O', 'Sm', 'Sr'] | # generated using pymatgen
data_Sr2SmNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03565000
_cell_length_b 5.89447600
_cell_length_c 10.24870961
_cell_angle_alpha 55.15869545
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 14 | 14 | # generated using pymatgen
data_Sr2SmNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89447600
_cell_length_b 6.03565000
_cell_length_c 10.24870961
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.84130455
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,415 | 17,147 | mp-1206540 | -0.33219 | 0 | TbMgTl | 0 | ['Mg', 'Tb', 'Tl'] | # generated using pymatgen
data_TbMgTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60427360
_cell_length_b 7.60427360
_cell_length_c 4.68889500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999652
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_TbMgTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60427360
_cell_length_b 7.60427360
_cell_length_c 4.68889500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,416 | 8,164 | mp-1218058 | -2.772566 | 0.3557 | SrPrMgRuO6 | 0 | ['Mg', 'O', 'Pr', 'Ru', 'Sr'] | # generated using pymatgen
data_SrPrMgRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67837400
_cell_length_b 5.60188300
_cell_length_c 9.69145064
_cell_angle_alpha 54.85727573
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 7 | 7 | # generated using pymatgen
data_SrPrMgRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60188300
_cell_length_b 5.67837400
_cell_length_c 9.69145064
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.14272427
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,417 | 6,048 | mp-1079278 | -0.651976 | 0 | Sr(AlAu)2 | 0 | ['Al', 'Au', 'Sr'] | # generated using pymatgen
data_Sr(AlAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52949800
_cell_length_b 4.52949800
_cell_length_c 10.53904000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 129 | 129 | # generated using pymatgen
data_Sr(AlAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52949800
_cell_length_b 4.52949800
_cell_length_c 10.53904000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,418 | 50 | mp-30385 | -0.643596 | 0 | Ho2Au | 0 | ['Au', 'Ho'] | # generated using pymatgen
data_Ho2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94829500
_cell_length_b 7.08392800
_cell_length_c 8.91671300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 62 | 62 | # generated using pymatgen
data_Ho2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94829500
_cell_length_b 7.08392800
_cell_length_c 8.91671300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
24,419 | 3,254 | mp-1926 | -0.099701 | 0 | HoFe2 | 0 | ['Ho', 'Fe'] | # generated using pymatgen
data_HoFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11786352
_cell_length_b 5.11786352
_cell_length_c 5.11786352
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 227 | 227 | # generated using pymatgen
data_HoFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23775200
_cell_length_b 7.23775200
_cell_length_c 7.23775200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
24,420 | 13,073 | mp-1104233 | -1.749695 | 0 | Ce2Te5 | 0 | ['Ce', 'Te'] | # generated using pymatgen
data_Ce2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 21.81827759
_cell_length_b 21.81827759
_cell_length_c 4.41749300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 168.37998324
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_Ce2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41733200
_cell_length_b 43.41239599
_cell_length_c 4.41749300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,421 | 22,495 | mp-984725 | -0.296118 | 0 | BaTl3 | 0.002584 | ['Ba', 'Tl'] | # generated using pymatgen
data_BaTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79493635
_cell_length_b 7.79493635
_cell_length_c 5.26888800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000296
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_BaTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79493635
_cell_length_b 7.79493635
_cell_length_c 5.26888800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,422 | 3,209 | mp-1227477 | -3.592973 | 4.0074 | Ca2LaTaO6 | 0 | ['Ca', 'La', 'O', 'Ta'] | # generated using pymatgen
data_Ca2LaTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70567931
_cell_length_b 5.93742900
_cell_length_c 8.23748300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.09321497
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 7 | 7 | # generated using pymatgen
data_Ca2LaTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70567931
_cell_length_b 5.93742900
_cell_length_c 10.01289028
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.64534146
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,423 | 35,193 | mp-1217246 | -0.512681 | 0 | Ti2FeB2Ru3Rh2 | 0.034897 | ['B', 'Fe', 'Rh', 'Ru', 'Ti'] | # generated using pymatgen
data_Ti2FeB2Ru3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96544500
_cell_length_b 9.10841745
_cell_length_c 9.15723041
_cell_angle_alpha 90.17316536
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 10 | 10 | # generated using pymatgen
data_Ti2FeB2Ru3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.10841745
_cell_length_b 2.96544500
_cell_length_c 9.15723041
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.17316536
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,424 | 25,997 | mvc-13158 | -2.928686 | 0.2587 | CaVO3 | 0.008815 | ['Ca', 'V', 'O'] | # generated using pymatgen
data_CaVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38145400
_cell_length_b 5.43759400
_cell_length_c 7.68253860
_cell_angle_alpha 89.54560638
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 14 | 14 | # generated using pymatgen
data_CaVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43759400
_cell_length_b 5.38145400
_cell_length_c 7.68253860
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.45439362
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
24,425 | 16,230 | mp-19333 | -2.284824 | 3.2492 | Fe2B2O5 | 0 | ['B', 'Fe', 'O'] | # generated using pymatgen
data_Fe2B2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28351807
_cell_length_b 6.25844656
_cell_length_c 9.53459789
_cell_angle_alpha 105.13312379
_cell_angle_beta 91.07124357
_cell_angle_gamma 91.79937213
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_Fe2B2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28351807
_cell_length_b 6.25844656
_cell_length_c 9.53459789
_cell_angle_alpha 105.13312379
_cell_angle_beta 91.07124357
_cell_angle_gamma 91.79937213
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,426 | 39,744 | mp-1227242 | -0.075449 | 0 | CeIn7Cu5 | 0.052314 | ['Ce', 'Cu', 'In'] | # generated using pymatgen
data_CeIn7Cu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31630594
_cell_length_b 7.31630594
_cell_length_c 7.31630594
_cell_angle_alpha 135.77969381
_cell_angle_beta 98.29607408
_cell_angle_gamma 97.99276889
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 44 | 44 | # generated using pymatgen
data_CeIn7Cu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50754600
_cell_length_b 9.57129200
_cell_length_c 9.60055400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,427 | 3,531 | mp-1078736 | -0.72557 | 0 | Pr(NiSb)2 | 0 | ['Ni', 'Pr', 'Sb'] | # generated using pymatgen
data_Pr(NiSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47557200
_cell_length_b 4.47557200
_cell_length_c 10.09500300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 129 | 129 | # generated using pymatgen
data_Pr(NiSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47557200
_cell_length_b 4.47557200
_cell_length_c 10.09500300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,428 | 29,222 | mp-1220747 | -0.998431 | 0 | Nb3Fe(Se4S)2 | 0.017115 | ['Fe', 'Nb', 'S', 'Se'] | # generated using pymatgen
data_Nb3Fe(Se4S)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50080000
_cell_length_b 9.41967600
_cell_length_c 10.11270167
_cell_angle_alpha 66.74805664
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 6 | 6 | # generated using pymatgen
data_Nb3Fe(Se4S)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.41967600
_cell_length_b 3.50080000
_cell_length_c 10.11270167
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.25194336
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
24,429 | 232 | mp-1226870 | -0.393996 | 0 | CeY(MgNi4)2 | 0 | ['Ce', 'Mg', 'Ni', 'Y'] | # generated using pymatgen
data_CeY(MgNi4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56100259
_cell_length_b 8.56100259
_cell_length_c 8.56100266
_cell_angle_alpha 33.57162554
_cell_angle_beta 33.57162554
_cell_angle_gamma 33.57163201
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 160 | 160 | # generated using pymatgen
data_CeY(MgNi4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94474555
_cell_length_b 4.94474555
_cell_length_c 24.21291743
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,430 | 10,090 | mp-1147558 | -2.316352 | 0 | Ba4Mg(BiO4)3 | 0 | ['Ba', 'Bi', 'Mg', 'O'] | # generated using pymatgen
data_Ba4Mg(BiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48073437
_cell_length_b 7.48073437
_cell_length_c 7.48073437
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 229 | 229 | # generated using pymatgen
data_Ba4Mg(BiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63800800
_cell_length_b 8.63800800
_cell_length_c 8.63800800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,431 | 4,933 | mp-755357 | -2.802405 | 3.7721 | NdAsO4 | 0 | ['As', 'Nd', 'O'] | # generated using pymatgen
data_NdAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14508928
_cell_length_b 6.14508928
_cell_length_c 6.14508928
_cell_angle_alpha 106.41649868
_cell_angle_beta 106.41649868
_cell_angle_gamma 115.77031779
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 141 | 141 | # generated using pymatgen
data_NdAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36069000
_cell_length_b 7.36069000
_cell_length_c 6.53368000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,432 | 9,414 | mp-7810 | -0.38563 | 0 | UVC2 | 0 | ['C', 'U', 'V'] | # generated using pymatgen
data_UVC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19117700
_cell_length_b 5.56007700
_cell_length_c 10.77836700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | 62 | 62 | # generated using pymatgen
data_UVC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19117700
_cell_length_b 5.56007700
_cell_length_c 10.77836700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... |
24,433 | 10,820 | mp-4175 | -0.191088 | 0.7059 | ZnSnP2 | 0 | ['Zn', 'Sn', 'P'] | # generated using pymatgen
data_ZnSnP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99923525
_cell_length_b 6.99923525
_cell_length_c 6.99923525
_cell_angle_alpha 131.88440700
_cell_angle_beta 131.88440700
_cell_angle_gamma 70.41165484
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 122 | 122 | # generated using pymatgen
data_ZnSnP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70658800
_cell_length_b 5.70658800
_cell_length_c 11.43795800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,434 | 30,650 | mp-1206783 | -0.244682 | 0 | Ce2InCu2 | 0.020843 | ['Ce', 'Cu', 'In'] | # generated using pymatgen
data_Ce2InCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65542300
_cell_length_b 7.65542300
_cell_length_c 3.79890000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 127 | 127 | # generated using pymatgen
data_Ce2InCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65542300
_cell_length_b 7.65542300
_cell_length_c 3.79890000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,435 | 33,644 | mp-1188550 | -0.141851 | 0 | Ce2Co7 | 0.028874 | ['Ce', 'Co'] | # generated using pymatgen
data_Ce2Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87867793
_cell_length_b 4.87867800
_cell_length_c 12.69466852
_cell_angle_alpha 78.92144881
_cell_angle_beta 78.92144887
_cell_angle_gamma 59.99999950
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Ce2Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87867793
_cell_length_b 4.87867793
_cell_length_c 37.13471399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,436 | 12,685 | mp-1223179 | -0.442712 | 0 | LaCeIn6 | 0 | ['Ce', 'In', 'La'] | # generated using pymatgen
data_LaCeIn6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74329900
_cell_length_b 4.74329900
_cell_length_c 9.54074400
_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_LaCeIn6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74329900
_cell_length_b 4.74329900
_cell_length_c 9.54074400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,437 | 26,708 | mp-1219179 | -2.240845 | 0 | Sm3TmS4 | 0.011459 | ['S', 'Sm', 'Tm'] | # generated using pymatgen
data_Sm3TmS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97928600
_cell_length_b 5.62996900
_cell_length_c 7.92495200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 47 | 47 | # generated using pymatgen
data_Sm3TmS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97928600
_cell_length_b 5.62996900
_cell_length_c 7.92495200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,438 | 33,195 | mp-1219619 | -3.522065 | 2.4813 | RbLa2TaTi2O10 | 0.027617 | ['La', 'O', 'Rb', 'Ta', 'Ti'] | # generated using pymatgen
data_RbLa2TaTi2O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87766032
_cell_length_b 3.87766032
_cell_length_c 15.49236371
_cell_angle_alpha 89.61323644
_cell_angle_beta 89.61323644
_cell_angle_gamma 90.06224986
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 8 | 8 | # generated using pymatgen
data_RbLa2TaTi2O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48086001
_cell_length_b 5.48681801
_cell_length_c 15.49236371
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.54726781
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
24,439 | 19,924 | mp-862950 | -0.65879 | 0 | PmPd2Pb | 0 | ['Pb', 'Pd', 'Pm'] | # generated using pymatgen
data_PmPd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95264802
_cell_length_b 4.95264802
_cell_length_c 4.95264802
_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_PmPd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00410200
_cell_length_b 7.00410200
_cell_length_c 7.00410200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,440 | 6,298 | mp-31090 | -0.845401 | 0 | Er2Pd2Pb | 0 | ['Er', 'Pb', 'Pd'] | # generated using pymatgen
data_Er2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93274400
_cell_length_b 7.93274400
_cell_length_c 3.55263900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 127 | 127 | # generated using pymatgen
data_Er2Pd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93274400
_cell_length_b 7.93274400
_cell_length_c 3.55263900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,441 | 27,225 | mp-1223779 | -0.397991 | 0 | HoAl7Fe5 | 0.012498 | ['Al', 'Fe', 'Ho'] | # generated using pymatgen
data_HoAl7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60136971
_cell_length_b 6.60136971
_cell_length_c 6.60136971
_cell_angle_alpha 135.34506700
_cell_angle_beta 98.45811727
_cell_angle_gamma 98.13818866
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 44 | 44 | # generated using pymatgen
data_HoAl7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01571600
_cell_length_b 8.62187200
_cell_length_c 8.64975400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,442 | 28,173 | mp-1215673 | -0.941769 | 0 | ZnCr2(SeS)2 | 0.014774 | ['Cr', 'S', 'Se', 'Zn'] | # generated using pymatgen
data_ZnCr2(SeS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30627274
_cell_length_b 7.30627274
_cell_length_c 7.30627274
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 216 | 216 | # generated using pymatgen
data_ZnCr2(SeS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.33263000
_cell_length_b 10.33263000
_cell_length_c 10.33263000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
24,443 | 8,916 | mp-687081 | -2.179786 | 0 | YbCoO3 | 0 | ['Co', 'O', 'Yb'] | # generated using pymatgen
data_YbCoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18592500
_cell_length_b 5.38854700
_cell_length_c 7.39165000
_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_YbCoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18592500
_cell_length_b 5.38854700
_cell_length_c 7.39165000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,444 | 17,417 | mp-755258 | -3.321355 | 1.5818 | TmVO3 | 0 | ['O', 'Tm', 'V'] | # generated using pymatgen
data_TmVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26282900
_cell_length_b 5.68801200
_cell_length_c 7.62239900
_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_TmVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26282900
_cell_length_b 5.68801200
_cell_length_c 7.62239900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,445 | 43,019 | mp-1039090 | 0.057426 | 0 | Ce2Mg | 0.069963 | ['Ce', 'Mg'] | # generated using pymatgen
data_Ce2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25348195
_cell_length_b 3.25348195
_cell_length_c 17.03375400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999889
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Ce2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25348195
_cell_length_b 3.25348195
_cell_length_c 17.03375400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,446 | 10,441 | mp-864651 | -0.26396 | 0 | Ta2NbRu | 0 | ['Ta', 'Nb', 'Ru'] | # generated using pymatgen
data_Ta2NbRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57482531
_cell_length_b 4.57482531
_cell_length_c 4.57482531
_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_Ta2NbRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46978000
_cell_length_b 6.46978000
_cell_length_c 6.46978000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,447 | 16,182 | mp-1241 | -0.295115 | 0 | BaAg2 | 0 | ['Ag', 'Ba'] | # generated using pymatgen
data_BaAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93300332
_cell_length_b 4.93300332
_cell_length_c 4.39321000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999093
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_BaAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93300332
_cell_length_b 4.93300332
_cell_length_c 4.39321000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,448 | 17,410 | mp-7243 | -0.662822 | 0 | LiSnPd2 | 0 | ['Li', 'Sn', 'Pd'] | # generated using pymatgen
data_LiSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49561521
_cell_length_b 4.49561521
_cell_length_c 4.49561521
_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_LiSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35776000
_cell_length_b 6.35776000
_cell_length_c 6.35776000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,449 | 14,301 | mp-23033 | -1.66508 | 1.9839 | Sr2NCl | 0 | ['Sr', 'N', 'Cl'] | # generated using pymatgen
data_Sr2NCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45801990
_cell_length_b 7.45801990
_cell_length_c 7.45801981
_cell_angle_alpha 30.42954187
_cell_angle_beta 30.42954187
_cell_angle_gamma 30.42953435
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Sr2NCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91453446
_cell_length_b 3.91453446
_cell_length_c 21.32200271
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,450 | 38,134 | mp-1188906 | -0.101466 | 0 | Sm2Ga2Co15 | 0.045804 | ['Co', 'Ga', 'Sm'] | # generated using pymatgen
data_Sm2Ga2Co15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35695278
_cell_length_b 6.35695278
_cell_length_c 6.35695322
_cell_angle_alpha 82.78723530
_cell_angle_beta 82.78723530
_cell_angle_gamma 82.78723277
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Sm2Ga2Co15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.40679425
_cell_length_b 8.40679425
_cell_length_c 12.31564378
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,451 | 3,624 | mp-1188251 | -0.348184 | 0 | Y(Co2B)6 | 0 | ['B', 'Co', 'Y'] | # generated using pymatgen
data_Y(Co2B)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96016533
_cell_length_b 5.96016533
_cell_length_c 5.96016513
_cell_angle_alpha 103.98890033
_cell_angle_beta 103.98890033
_cell_angle_gamma 103.98890276
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 166 | 166 | # generated using pymatgen
data_Y(Co2B)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.39263784
_cell_length_b 9.39263784
_cell_length_c 7.41937977
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,452 | 45,225 | mvc-15707 | -3.019202 | 0 | MgSbF6 | 0.079538 | ['F', 'Mg', 'Sb'] | # generated using pymatgen
data_MgSbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64949284
_cell_length_b 5.64949284
_cell_length_c 5.64949358
_cell_angle_alpha 58.09076474
_cell_angle_beta 58.09076474
_cell_angle_gamma 58.09075616
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_MgSbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48568255
_cell_length_b 5.48568255
_cell_length_c 14.03470000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,453 | 15,903 | mp-644311 | -0.156572 | 0 | CuPt | 0 | ['Cu', 'Pt'] | # generated using pymatgen
data_CuPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57136083
_cell_length_b 4.57136083
_cell_length_c 4.57136116
_cell_angle_alpha 34.96407445
_cell_angle_beta 34.96407445
_cell_angle_gamma 34.96407939
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu... | 166 | 166 | # generated using pymatgen
data_CuPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74653586
_cell_length_b 2.74653586
_cell_length_c 12.86256936
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,454 | 18,485 | mp-979289 | -0.090237 | 0 | TaW3 | 0 | ['Ta', 'W'] | # generated using pymatgen
data_TaW3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54750270
_cell_length_b 4.54750270
_cell_length_c 4.54750270
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta... | 225 | 225 | # generated using pymatgen
data_TaW3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43113999
_cell_length_b 6.43113999
_cell_length_c 6.43113999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta... |
24,455 | 6,490 | mp-983234 | -0.746553 | 0 | Sm2Ge5Ir3 | 0 | ['Ge', 'Ir', 'Sm'] | # generated using pymatgen
data_Sm2Ge5Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44349008
_cell_length_b 8.44349008
_cell_length_c 8.44349008
_cell_angle_alpha 137.69284965
_cell_angle_beta 104.92793105
_cell_angle_gamma 90.16323823
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 72 | 72 | # generated using pymatgen
data_Sm2Ge5Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09398800
_cell_length_b 10.28856600
_cell_length_c 11.92387600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,456 | 8,260 | mp-22236 | -0.01319 | 0 | In3Co | 0 | ['Co', 'In'] | # generated using pymatgen
data_In3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89937200
_cell_length_b 6.89937200
_cell_length_c 7.14483300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | 136 | 136 | # generated using pymatgen
data_In3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89937200
_cell_length_b 6.89937200
_cell_length_c 7.14483300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... |
24,457 | 27,093 | mp-1184634 | -0.333617 | 0 | Ho2ZnAg | 0.011868 | ['Ag', 'Ho', 'Zn'] | # generated using pymatgen
data_Ho2ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08003896
_cell_length_b 5.08003896
_cell_length_c 5.08003896
_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_Ho2ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18425999
_cell_length_b 7.18425999
_cell_length_c 7.18425999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,458 | 31,868 | mp-542817 | -0.520523 | 0 | UPt | 0.023531 | ['Pt', 'U'] | # generated using pymatgen
data_UPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.66920900
_cell_length_b 5.77324100
_cell_length_c 5.81619554
_cell_angle_alpha 78.41548160
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UP... | 4 | 4 | # generated using pymatgen
data_UPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77324100
_cell_length_b 10.66920900
_cell_length_c 5.81619554
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.58451840
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... |
24,459 | 36,691 | mp-1216007 | -0.279815 | 0 | YZr2Ni15 | 0.040075 | ['Ni', 'Y', 'Zr'] | # generated using pymatgen
data_YZr2Ni15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77708032
_cell_length_b 4.77708032
_cell_length_c 11.69867700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000437
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 156 | 156 | # generated using pymatgen
data_YZr2Ni15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77708032
_cell_length_b 4.77708032
_cell_length_c 11.69867700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,460 | 16,262 | mp-23058 | -3.471202 | 4.7693 | NdClO | 0 | ['Nd', 'Cl', 'O'] | # generated using pymatgen
data_NdClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07297400
_cell_length_b 4.07297400
_cell_length_c 6.84349000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 129 | 129 | # generated using pymatgen
data_NdClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07297400
_cell_length_b 4.07297400
_cell_length_c 6.84349000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
24,461 | 13,985 | mp-976713 | -2.429134 | 4.8976 | HoH2ClO2 | 0 | ['Cl', 'H', 'Ho', 'O'] | # generated using pymatgen
data_HoH2ClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61867000
_cell_length_b 6.18299700
_cell_length_c 6.63808987
_cell_angle_alpha 73.06880557
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_HoH2ClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18299700
_cell_length_b 3.61867000
_cell_length_c 6.63808987
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.93119443
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,462 | 3,878 | mp-582293 | -0.497096 | 0 | TbInNi | 0 | ['In', 'Ni', 'Tb'] | # generated using pymatgen
data_TbInNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49071123
_cell_length_b 7.49071123
_cell_length_c 3.78416300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999324
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_TbInNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49071123
_cell_length_b 7.49071123
_cell_length_c 3.78416300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,463 | 18,399 | mp-5716 | -1.164392 | 0 | Ba(Mo3S4)2 | 0 | ['Ba', 'Mo', 'S'] | # generated using pymatgen
data_Ba(Mo3S4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65851500
_cell_length_b 6.73156318
_cell_length_c 6.79470461
_cell_angle_alpha 89.11259020
_cell_angle_beta 89.24878508
_cell_angle_gamma 87.91486625
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_Ba(Mo3S4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65851500
_cell_length_b 6.73156318
_cell_length_c 6.79470461
_cell_angle_alpha 89.11259020
_cell_angle_beta 89.24878508
_cell_angle_gamma 87.91486625
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,464 | 17,741 | mp-1567 | -0.408373 | 0 | ThNi5 | 0 | ['Th', 'Ni'] | # generated using pymatgen
data_ThNi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92299188
_cell_length_b 4.92299188
_cell_length_c 4.00071400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999843
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_ThNi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92299188
_cell_length_b 4.92299188
_cell_length_c 4.00071400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,465 | 24,026 | mp-1078142 | -0.231043 | 0 | DyIn5Co | 0.006152 | ['Co', 'Dy', 'In'] | # generated using pymatgen
data_DyIn5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56709000
_cell_length_b 4.56709000
_cell_length_c 7.47355700
_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_DyIn5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56709000
_cell_length_b 4.56709000
_cell_length_c 7.47355700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,466 | 23,692 | mp-1219929 | -0.580916 | 0 | Pr2Al3Ge | 0.00588 | ['Al', 'Ge', 'Pr'] | # generated using pymatgen
data_Pr2Al3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32969500
_cell_length_b 4.36335000
_cell_length_c 7.54475200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 25 | 25 | # generated using pymatgen
data_Pr2Al3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32969500
_cell_length_b 4.36335000
_cell_length_c 7.54475200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,467 | 16,732 | mp-1346 | -0.805273 | 2.2093 | B6O | 0 | ['B', 'O'] | # generated using pymatgen
data_B6O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15348303
_cell_length_b 5.15348303
_cell_length_c 5.15348366
_cell_angle_alpha 63.10621204
_cell_angle_beta 63.10621204
_cell_angle_gamma 63.10620991
_symmetry_Int_Tables_number 1
_chemical_formula_structural B6O... | 166 | 166 | # generated using pymatgen
data_B6O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39351824
_cell_length_b 5.39351824
_cell_length_c 12.31890360
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
24,468 | 22,393 | mp-568628 | -1.175914 | 2.7167 | CsHg5Cl11 | 0.002868 | ['Cl', 'Cs', 'Hg'] | # generated using pymatgen
data_CsHg5Cl11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.71804907
_cell_length_b 9.71804907
_cell_length_c 6.94094540
_cell_angle_alpha 71.09584560
_cell_angle_beta 71.09584560
_cell_angle_gamma 99.97979587
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_CsHg5Cl11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.49590800
_cell_length_b 14.88671200
_cell_length_c 6.94094540
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.26014254
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,469 | 13,927 | mp-863711 | -0.860268 | 0 | ErGaRh2 | 0 | ['Er', 'Ga', 'Rh'] | # generated using pymatgen
data_ErGaRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54912905
_cell_length_b 4.54912905
_cell_length_c 4.54912905
_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_ErGaRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43344000
_cell_length_b 6.43344000
_cell_length_c 6.43344000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,470 | 19,961 | mp-867820 | -0.815359 | 0 | LiAlPd2 | 0 | ['Li', 'Al', 'Pd'] | # generated using pymatgen
data_LiAlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27481263
_cell_length_b 4.27481263
_cell_length_c 4.27481263
_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_LiAlPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04549800
_cell_length_b 6.04549800
_cell_length_c 6.04549800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,471 | 10,923 | mp-861965 | -0.656331 | 0 | Ho2RuRh | 0 | ['Ho', 'Rh', 'Ru'] | # generated using pymatgen
data_Ho2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79845490
_cell_length_b 4.79845490
_cell_length_c 4.79845490
_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_Ho2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78604000
_cell_length_b 6.78604000
_cell_length_c 6.78604000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,472 | 45,204 | mp-760408 | -1.640748 | 0 | LiZnO2 | 0.079786 | ['Li', 'Zn', 'O'] | # generated using pymatgen
data_LiZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21076640
_cell_length_b 5.21076640
_cell_length_c 5.21076640
_cell_angle_alpha 132.57365144
_cell_angle_beta 132.57365144
_cell_angle_gamma 69.32450188
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_LiZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19110600
_cell_length_b 4.19110600
_cell_length_c 8.57190801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,473 | 24,953 | mp-8881 | -0.47822 | 1.6862 | AlAs | 0.006922 | ['Al', 'As'] | # generated using pymatgen
data_AlAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04552935
_cell_length_b 4.04552935
_cell_length_c 6.64924100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998935
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 186 | 186 | # generated using pymatgen
data_AlAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04552935
_cell_length_b 4.04552935
_cell_length_c 6.64924100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
24,474 | 18,798 | mp-30572 | -0.398111 | 0 | Hf2Ga | 0 | ['Hf', 'Ga'] | # generated using pymatgen
data_Hf2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43377816
_cell_length_b 5.43377816
_cell_length_c 5.43377816
_cell_angle_alpha 103.71430147
_cell_angle_beta 103.71430147
_cell_angle_gamma 121.72472200
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 140 | 140 | # generated using pymatgen
data_Hf2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71206600
_cell_length_b 6.71206600
_cell_length_c 5.29151400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
24,475 | 4,012 | mp-1018696 | -0.429669 | 0 | EuCdPb | 0 | ['Cd', 'Eu', 'Pb'] | # generated using pymatgen
data_EuCdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09413944
_cell_length_b 5.09413944
_cell_length_c 7.98433500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999268
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_EuCdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09413944
_cell_length_b 5.09413944
_cell_length_c 7.98433500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,476 | 39,606 | mp-1174169 | -2.004753 | 0.5449 | Li4Mn3CoO8 | 0.053272 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li4Mn3CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13711986
_cell_length_b 5.13711986
_cell_length_c 10.90929229
_cell_angle_alpha 85.00128809
_cell_angle_beta 85.00128809
_cell_angle_gamma 32.28215984
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 12 | 12 | # generated using pymatgen
data_Li4Mn3CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.86922999
_cell_length_b 2.85627400
_cell_length_c 10.90929229
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.20440195
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,477 | 40,278 | mp-13154 | 0.0553 | 0 | Fe3C | 0.0553 | ['Fe', 'C'] | # generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66170975
_cell_length_b 4.66170975
_cell_length_c 4.32030300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999650
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 182 | 182 | # generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66170975
_cell_length_b 4.66170975
_cell_length_c 4.32030300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... |
24,478 | 28,339 | mp-29009 | -1.833252 | 4.5277 | Li2MgBr4 | 0.014593 | ['Li', 'Mg', 'Br'] | # generated using pymatgen
data_Li2MgBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81632801
_cell_length_b 6.81632801
_cell_length_c 3.89053800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.57647773
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 65 | 65 | # generated using pymatgen
data_Li2MgBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.86059000
_cell_length_b 11.13824200
_cell_length_c 3.89053800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,479 | 18,506 | mp-1019319 | -0.172805 | 0 | TcN | 0 | ['Tc', 'N'] | # generated using pymatgen
data_TcN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05443600
_cell_length_b 4.05443600
_cell_length_c 4.05443600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcN... | 221 | 221 | # generated using pymatgen
data_TcN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05443600
_cell_length_b 4.05443600
_cell_length_c 4.05443600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcN... |
24,480 | 29,142 | mp-1189631 | -0.249443 | 0 | Ce(In2Ni)3 | 0.016836 | ['Ce', 'In', 'Ni'] | # generated using pymatgen
data_Ce(In2Ni)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41109700
_cell_length_b 7.70492100
_cell_length_c 11.87064600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 59 | 59 | # generated using pymatgen
data_Ce(In2Ni)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41109700
_cell_length_b 7.70492100
_cell_length_c 11.87064600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,481 | 11,462 | mp-867920 | -1.234062 | 0 | K2Rh2O5 | 0 | ['K', 'Rh', 'O'] | # generated using pymatgen
data_K2Rh2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89093500
_cell_length_b 3.89093500
_cell_length_c 8.72043000
_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_K2Rh2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89093500
_cell_length_b 3.89093500
_cell_length_c 8.72043000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,482 | 15,368 | mp-568509 | -0.579764 | 0 | Er(CoB)2 | 0 | ['Er', 'Co', 'B'] | # generated using pymatgen
data_Er(CoB)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24589352
_cell_length_b 5.24589352
_cell_length_c 5.24589352
_cell_angle_alpha 140.57312698
_cell_angle_beta 140.57312698
_cell_angle_gamma 56.98411231
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Er(CoB)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53904800
_cell_length_b 3.53904800
_cell_length_c 9.22105600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,483 | 20,387 | mp-639910 | -0.324054 | 0 | Y(Sn3Ru2)2 | 0 | ['Y', 'Sn', 'Ru'] | # generated using pymatgen
data_Y(Sn3Ru2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95908302
_cell_length_b 6.95908302
_cell_length_c 6.95908302
_cell_angle_alpha 120.41745793
_cell_angle_beta 120.41745793
_cell_angle_gamma 89.27844978
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 121 | 121 | # generated using pymatgen
data_Y(Sn3Ru2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91512600
_cell_length_b 6.91512600
_cell_length_c 9.90340400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,484 | 22,813 | mp-23751 | -0.326962 | 2.7741 | CsMgH3 | 0.004104 | ['Cs', 'H', 'Mg'] | # generated using pymatgen
data_CsMgH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29009279
_cell_length_b 8.29009279
_cell_length_c 8.29009302
_cell_angle_alpha 44.34483265
_cell_angle_beta 44.34483265
_cell_angle_gamma 44.34483847
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_CsMgH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25727965
_cell_length_b 6.25727965
_cell_length_c 22.38459551
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,485 | 42,753 | mp-1226683 | -0.43234 | 0 | CeAlNi4 | 0.06798 | ['Al', 'Ce', 'Ni'] | # generated using pymatgen
data_CeAlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11461790
_cell_length_b 5.11461790
_cell_length_c 3.89971200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999867
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_CeAlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11461790
_cell_length_b 5.11461790
_cell_length_c 3.89971200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,486 | 17,595 | mp-1114462 | -1.531715 | 1.0394 | Rb2NaTlBr6 | 0 | ['Br', 'Na', 'Rb', 'Tl'] | # generated using pymatgen
data_Rb2NaTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05515398
_cell_length_b 8.05515398
_cell_length_c 8.05515398
_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_Rb2NaTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.39170801
_cell_length_b 11.39170801
_cell_length_c 11.39170801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,487 | 36,056 | mp-1111570 | -2.354858 | 0 | K2TlRuF6 | 0.039426 | ['F', 'K', 'Ru', 'Tl'] | # generated using pymatgen
data_K2TlRuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54007163
_cell_length_b 6.54007163
_cell_length_c 6.54007163
_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_K2TlRuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.24905800
_cell_length_b 9.24905800
_cell_length_c 9.24905800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,488 | 1,763 | mp-20001 | -0.854407 | 0 | SrSnPt | 0 | ['Sr', 'Sn', 'Pt'] | # generated using pymatgen
data_SrSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77025600
_cell_length_b 7.73249200
_cell_length_c 8.11176000
_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_SrSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77025600
_cell_length_b 7.73249200
_cell_length_c 8.11176000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,489 | 15,979 | mp-9295 | -0.475657 | 1.58 | TaCu3Te4 | 0 | ['Ta', 'Cu', 'Te'] | # generated using pymatgen
data_TaCu3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98764500
_cell_length_b 5.98764500
_cell_length_c 5.98764500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 215 | 215 | # generated using pymatgen
data_TaCu3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98764500
_cell_length_b 5.98764500
_cell_length_c 5.98764500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,490 | 11,843 | mp-510321 | -0.601246 | 0 | Zr5AlSn3 | 0 | ['Al', 'Sn', 'Zr'] | # generated using pymatgen
data_Zr5AlSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.74469027
_cell_length_b 8.74469027
_cell_length_c 5.91735800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000204
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_Zr5AlSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.74469027
_cell_length_b 8.74469027
_cell_length_c 5.91735800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,491 | 343 | mp-1005755 | -0.895253 | 0 | SmGe2Pt | 0 | ['Ge', 'Pt', 'Sm'] | # generated using pymatgen
data_SmGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61045481
_cell_length_b 9.61045481
_cell_length_c 9.61045481
_cell_angle_alpha 153.45912092
_cell_angle_beta 125.41081235
_cell_angle_gamma 61.70243634
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 71 | 71 | # generated using pymatgen
data_SmGe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41211400
_cell_length_b 8.81405000
_cell_length_c 16.50118600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,492 | 37,658 | mp-1207033 | -0.404702 | 0 | Yb2NiGe6 | 0.044791 | ['Ge', 'Ni', 'Yb'] | # generated using pymatgen
data_Yb2NiGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91841700
_cell_length_b 4.12521900
_cell_length_c 11.20856576
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.06676363
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 38 | 38 | # generated using pymatgen
data_Yb2NiGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91841700
_cell_length_b 22.07201399
_cell_length_c 4.12521900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,493 | 39,906 | mp-754812 | -3.373716 | 4.3996 | Al2O3 | 0.052835 | ['Al', 'O'] | # generated using pymatgen
data_Al2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37529722
_cell_length_b 5.37529722
_cell_length_c 7.26821141
_cell_angle_alpha 73.77835716
_cell_angle_beta 73.77835716
_cell_angle_gamma 34.62995831
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 12 | 12 | # generated using pymatgen
data_Al2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.26340999
_cell_length_b 3.19964000
_cell_length_c 7.26821141
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.01453045
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,494 | 11,569 | mp-1104772 | -0.284125 | 0 | Yb(MnGe)6 | 0 | ['Ge', 'Mn', 'Yb'] | # generated using pymatgen
data_Yb(MnGe)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18551996
_cell_length_b 5.18656607
_cell_length_c 8.13187800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99332858
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 191 | 191 | # generated using pymatgen
data_Yb(MnGe)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18604301
_cell_length_b 5.18604301
_cell_length_c 8.13187800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,495 | 18,325 | mp-30780 | -0.562963 | 0 | SrMgSn | 0 | ['Sr', 'Mg', 'Sn'] | # generated using pymatgen
data_SrMgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90272900
_cell_length_b 8.23527100
_cell_length_c 8.94186600
_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_SrMgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90272900
_cell_length_b 8.23527100
_cell_length_c 8.94186600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,496 | 18,772 | mp-27420 | -2.483815 | 2.7358 | NaBiF6 | 0 | ['Bi', 'F', 'Na'] | # generated using pymatgen
data_NaBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10212224
_cell_length_b 6.10212224
_cell_length_c 6.10212232
_cell_angle_alpha 53.63630056
_cell_angle_beta 53.63630056
_cell_angle_gamma 53.63629770
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_NaBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50607016
_cell_length_b 5.50607016
_cell_length_c 15.62602438
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,497 | 2,161 | mp-1206595 | -1.460511 | 0 | LiTiSe2 | 0 | ['Li', 'Se', 'Ti'] | # generated using pymatgen
data_LiTiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66105197
_cell_length_b 3.66105197
_cell_length_c 6.49781300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999943
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_LiTiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66105197
_cell_length_b 3.66105197
_cell_length_c 6.49781300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,498 | 11,705 | mp-1228975 | -1.109613 | 0.1889 | Al2Cr3CuS8 | 0 | ['Al', 'Cr', 'Cu', 'S'] | # generated using pymatgen
data_Al2Cr3CuS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05026809
_cell_length_b 7.05026809
_cell_length_c 7.05026754
_cell_angle_alpha 60.04553974
_cell_angle_beta 60.04553974
_cell_angle_gamma 60.04553538
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 160 | 160 | # generated using pymatgen
data_Al2Cr3CuS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05512009
_cell_length_b 7.05512009
_cell_length_c 17.26361312
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,499 | 21,379 | mp-567402 | -0.837912 | 2.4173 | CdI2 | 0.001196 | ['Cd', 'I'] | # generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33201608
_cell_length_b 4.33201608
_cell_length_c 44.45656600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000125
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33201608
_cell_length_b 4.33201608
_cell_length_c 44.45656600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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