Unnamed: 0.1 int64 0 27.1k | Unnamed: 0 int64 1 45.2k | material_id stringlengths 4 10 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 17.9 | pretty_formula stringlengths 1 18 | e_above_hull float64 0 0.08 | elements stringlengths 5 40 | cif stringlengths 692 1.73k | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | cif.conv stringlengths 696 5.07k |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,300 | 20,523 | mp-1077925 | -0.175046 | 0 | Na5Sn2 | 0.000417 | ['Na', 'Sn'] | # generated using pymatgen
data_Na5Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.21503543
_cell_length_b 8.21503543
_cell_length_c 8.21503569
_cell_angle_alpha 38.93050280
_cell_angle_beta 38.93050280
_cell_angle_gamma 38.93049969
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Na5Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47507625
_cell_length_b 5.47507625
_cell_length_c 22.74756897
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,301 | 17,635 | mp-1205671 | -3.007131 | 1.8623 | Ba2TaFeO6 | 0 | ['Ba', 'Fe', 'O', 'Ta'] | # generated using pymatgen
data_Ba2TaFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79980013
_cell_length_b 5.79980013
_cell_length_c 10.04554850
_cell_angle_alpha 73.22134512
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 225 | 225 | # generated using pymatgen
data_Ba2TaFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.20215600
_cell_length_b 8.20215600
_cell_length_c 8.20215600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,302 | 20,818 | mp-31113 | -3.594941 | 3.5913 | Dy3GaO6 | 0.000954 | ['Dy', 'Ga', 'O'] | # generated using pymatgen
data_Dy3GaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14296542
_cell_length_b 7.14296542
_cell_length_c 5.44631300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 102.84988086
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 36 | 36 | # generated using pymatgen
data_Dy3GaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.90783999
_cell_length_b 11.16862599
_cell_length_c 5.44631300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,303 | 6,024 | mp-1069204 | -0.6178 | 0 | NdCoSi3 | 0 | ['Co', 'Nd', 'Si'] | # generated using pymatgen
data_NdCoSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65043383
_cell_length_b 5.65043383
_cell_length_c 5.65043383
_cell_angle_alpha 137.08564733
_cell_angle_beta 137.08564733
_cell_angle_gamma 62.30629872
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 107 | 107 | # generated using pymatgen
data_NdCoSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13392200
_cell_length_b 4.13392200
_cell_length_c 9.67114200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,304 | 21,403 | mp-571266 | -1.566395 | 4.3149 | GaCl3 | 0.001482 | ['Cl', 'Ga'] | # generated using pymatgen
data_GaCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11695200
_cell_length_b 7.17430216
_cell_length_c 7.29194265
_cell_angle_alpha 91.93479228
_cell_angle_beta 116.13160622
_cell_angle_gamma 116.90915878
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_GaCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11695200
_cell_length_b 7.17430216
_cell_length_c 7.29194265
_cell_angle_alpha 91.93479228
_cell_angle_beta 116.13160622
_cell_angle_gamma 116.90915878
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,305 | 7,647 | mp-1206287 | -0.358662 | 0 | LuIn2 | 0 | ['In', 'Lu'] | # generated using pymatgen
data_LuIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38476479
_cell_length_b 7.38476479
_cell_length_c 4.58087400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 143.33877750
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_LuIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64501200
_cell_length_b 14.02008800
_cell_length_c 4.58087400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,306 | 1,081 | mp-1105700 | -1.5676 | 2.1699 | TePb2O5 | 0 | ['O', 'Pb', 'Te'] | # generated using pymatgen
data_TePb2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29404956
_cell_length_b 7.29404956
_cell_length_c 7.67452622
_cell_angle_alpha 58.80942877
_cell_angle_beta 58.80942877
_cell_angle_gamma 47.14833797
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_TePb2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.37062200
_cell_length_b 5.83430400
_cell_length_c 7.67452622
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.40527449
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,307 | 12,566 | mp-1103514 | -0.503769 | 0 | Eu2Cu6P5 | 0 | ['Cu', 'Eu', 'P'] | # generated using pymatgen
data_Eu2Cu6P5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.70685853
_cell_length_b 12.70685853
_cell_length_c 12.70685853
_cell_angle_alpha 161.63926039
_cell_angle_beta 161.63926039
_cell_angle_gamma 26.07960003
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 139 | 139 | # generated using pymatgen
data_Eu2Cu6P5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05458000
_cell_length_b 4.05458000
_cell_length_c 24.75838801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,308 | 38,073 | mp-1113884 | -2.153156 | 0 | Rb2HgPdF6 | 0.047239 | ['F', 'Hg', 'Pd', 'Rb'] | # generated using pymatgen
data_Rb2HgPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37219741
_cell_length_b 6.37219741
_cell_length_c 6.37219741
_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_Rb2HgPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.01164800
_cell_length_b 9.01164800
_cell_length_c 9.01164800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,309 | 37,418 | mp-755826 | -1.655147 | 0.1324 | Li2FeCuO4 | 0.042613 | ['Cu', 'Fe', 'Li', 'O'] | # generated using pymatgen
data_Li2FeCuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92058320
_cell_length_b 5.92061764
_cell_length_c 5.93391048
_cell_angle_alpha 120.06042968
_cell_angle_beta 120.05990780
_cell_angle_gamma 89.88255360
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 74 | 74 | # generated using pymatgen
data_Li2FeCuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92196150
_cell_length_b 5.93391048
_cell_length_c 8.36440742
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,310 | 14,923 | mp-7657 | -0.998835 | 1.9176 | K3SiTe3 | 0 | ['K', 'Si', 'Te'] | # generated using pymatgen
data_K3SiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50561201
_cell_length_b 8.50561201
_cell_length_c 8.98214734
_cell_angle_alpha 74.67172532
_cell_angle_beta 74.67172532
_cell_angle_gamma 109.72442493
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_K3SiTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.79072000
_cell_length_b 13.91127401
_cell_length_c 8.98214734
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.34209584
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,311 | 7,831 | mp-3292 | -0.797925 | 0 | Tb(CoSi)2 | 0 | ['Tb', 'Co', 'Si'] | # generated using pymatgen
data_Tb(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61148087
_cell_length_b 5.61148087
_cell_length_c 5.61148087
_cell_angle_alpha 139.46829027
_cell_angle_beta 139.46829027
_cell_angle_gamma 58.66152089
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Tb(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88737200
_cell_length_b 3.88737200
_cell_length_c 9.78425000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,312 | 42,993 | mvc-3446 | -3.546021 | 1.9471 | CaVF4 | 0.066096 | ['Ca', 'F', 'V'] | # generated using pymatgen
data_CaVF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51901544
_cell_length_b 6.51901544
_cell_length_c 5.47213596
_cell_angle_alpha 69.23955665
_cell_angle_beta 69.23955665
_cell_angle_gamma 49.03422013
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 15 | 15 | # generated using pymatgen
data_CaVF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.86248801
_cell_length_b 5.41032600
_cell_length_c 5.47213596
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.92884891
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,313 | 35,408 | mp-752721 | -2.116053 | 0 | LiCu2F5 | 0.035138 | ['Cu', 'F', 'Li'] | # generated using pymatgen
data_LiCu2F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57130797
_cell_length_b 5.57130797
_cell_length_c 9.88937300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 139.31666168
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_LiCu2F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87337000
_cell_length_b 10.44772199
_cell_length_c 9.88937300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,314 | 43,674 | mp-1216204 | -0.503028 | 0 | Zr2Ga3Co | 0.071007 | ['Co', 'Ga', 'Zr'] | # generated using pymatgen
data_Zr2Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38642409
_cell_length_b 7.76735215
_cell_length_c 7.86472320
_cell_angle_alpha 83.11788739
_cell_angle_beta 114.84302087
_cell_angle_gamma 66.65842388
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 1 | 1 | # generated using pymatgen
data_Zr2Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38642409
_cell_length_b 7.76735215
_cell_length_c 7.77404663
_cell_angle_alpha 63.46689089
_cell_angle_beta 66.64220540
_cell_angle_gamma 66.65842388
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,315 | 18,315 | mp-30210 | -1.109571 | 0 | La5Sn3Cl | 0 | ['Cl', 'La', 'Sn'] | # generated using pymatgen
data_La5Sn3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.67331119
_cell_length_b 9.67331119
_cell_length_c 6.93083500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999449
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_La5Sn3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.67331119
_cell_length_b 9.67331119
_cell_length_c 6.93083500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,316 | 38,121 | mp-1185465 | -0.442013 | 0 | Lu2GaOs | 0.046476 | ['Ga', 'Lu', 'Os'] | # generated using pymatgen
data_Lu2GaOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81981943
_cell_length_b 4.81981943
_cell_length_c 4.81981943
_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_Lu2GaOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81625401
_cell_length_b 6.81625401
_cell_length_c 6.81625401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,317 | 37,985 | mp-998154 | -0.81754 | 0 | TlAgBr3 | 0.043463 | ['Ag', 'Br', 'Tl'] | # generated using pymatgen
data_TlAgBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40856411
_cell_length_b 5.40856411
_cell_length_c 5.40652560
_cell_angle_alpha 89.88538659
_cell_angle_beta 89.88538659
_cell_angle_gamma 89.90345912
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_TlAgBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65530600
_cell_length_b 7.64241800
_cell_length_c 5.40652560
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.16195156
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,318 | 5,221 | mp-12488 | -1.278232 | 1.5492 | CsErCdTe3 | 0 | ['Cd', 'Cs', 'Er', 'Te'] | # generated using pymatgen
data_CsErCdTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97781278
_cell_length_b 8.97781278
_cell_length_c 11.84082700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.79105074
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 63 | 63 | # generated using pymatgen
data_CsErCdTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52742000
_cell_length_b 17.37546999
_cell_length_c 11.84082700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,319 | 19,660 | mp-1213075 | -1.686089 | 0 | CuPdF6 | 0 | ['Cu', 'F', 'Pd'] | # generated using pymatgen
data_CuPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94373200
_cell_length_b 4.98946007
_cell_length_c 9.61216091
_cell_angle_alpha 75.60316005
_cell_angle_beta 75.83879493
_cell_angle_gamma 60.86583705
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_CuPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94373200
_cell_length_b 4.98946007
_cell_length_c 9.61216091
_cell_angle_alpha 75.60316005
_cell_angle_beta 75.83879493
_cell_angle_gamma 60.86583705
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,320 | 20,681 | mp-1220085 | -0.446717 | 0 | Ni3Te4 | 0.00077 | ['Ni', 'Te'] | # generated using pymatgen
data_Ni3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57018400
_cell_length_b 6.57018400
_cell_length_c 6.75306716
_cell_angle_alpha 59.63792240
_cell_angle_beta 59.63792240
_cell_angle_gamma 35.56451237
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Ni3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.51257401
_cell_length_b 4.01307400
_cell_length_c 6.75306716
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.06110486
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,321 | 2,976 | mp-9236 | -0.402879 | 0 | U2Si4Mo3 | 0 | ['Mo', 'Si', 'U'] | # generated using pymatgen
data_U2Si4Mo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90538500
_cell_length_b 6.74433600
_cell_length_c 6.89575955
_cell_angle_alpha 70.16677680
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_U2Si4Mo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74433600
_cell_length_b 6.90538500
_cell_length_c 6.89575955
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.83322320
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,322 | 41,622 | mp-1183830 | 0.036682 | 0 | Dy5Mg | 0.063237 | ['Dy', 'Mg'] | # generated using pymatgen
data_Dy5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.34039166
_cell_length_b 9.34039166
_cell_length_c 5.59178800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.93994084
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_Dy5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57407200
_cell_length_b 18.33569401
_cell_length_c 5.59178800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,323 | 10,481 | mp-9259 | -3.129791 | 4.537 | Ba2Mg(BO3)2 | 0 | ['B', 'Ba', 'Mg', 'O'] | # generated using pymatgen
data_Ba2Mg(BO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44115236
_cell_length_b 6.44115236
_cell_length_c 6.44115267
_cell_angle_alpha 49.63455804
_cell_angle_beta 49.63455804
_cell_angle_gamma 49.63455800
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 166 | 166 | # generated using pymatgen
data_Ba2Mg(BO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40703607
_cell_length_b 5.40703607
_cell_length_c 16.90230421
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,324 | 15,414 | mp-753119 | -2.246107 | 0 | Cs(WO3)3 | 0 | ['Cs', 'O', 'W'] | # generated using pymatgen
data_Cs(WO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54474626
_cell_length_b 7.54474626
_cell_length_c 3.88745900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000227
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 191 | 191 | # generated using pymatgen
data_Cs(WO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54474626
_cell_length_b 7.54474626
_cell_length_c 3.88745900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,325 | 12,655 | mp-1212911 | -1.012326 | 0 | Dy5(GeSb)2 | 0 | ['Dy', 'Ge', 'Sb'] | # generated using pymatgen
data_Dy5(GeSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54373203
_cell_length_b 8.54373203
_cell_length_c 7.93404200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 124.88995953
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 64 | 64 | # generated using pymatgen
data_Dy5(GeSb)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90466400
_cell_length_b 15.14918199
_cell_length_c 7.93404200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,326 | 4,006 | mp-1017628 | -0.472546 | 0.8476 | Mg(BeP)2 | 0 | ['Be', 'Mg', 'P'] | # generated using pymatgen
data_Mg(BeP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64684936
_cell_length_b 3.64684936
_cell_length_c 6.22406300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998831
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 164 | 164 | # generated using pymatgen
data_Mg(BeP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64684936
_cell_length_b 3.64684936
_cell_length_c 6.22406300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,327 | 8,101 | mp-1186475 | -0.377367 | 0 | Pm2MgGe | 0 | ['Ge', 'Mg', 'Pm'] | # generated using pymatgen
data_Pm2MgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26476354
_cell_length_b 5.26476354
_cell_length_c 5.26476354
_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_Pm2MgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44550000
_cell_length_b 7.44550000
_cell_length_c 7.44550000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,328 | 23,275 | mp-1229145 | -0.327733 | 1.442 | Ag6SbAsS6 | 0.004564 | ['Ag', 'As', 'S', 'Sb'] | # generated using pymatgen
data_Ag6SbAsS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05507878
_cell_length_b 7.05507878
_cell_length_c 7.05507947
_cell_angle_alpha 102.12427131
_cell_angle_beta 102.12427131
_cell_angle_gamma 102.12427880
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 146 | 146 | # generated using pymatgen
data_Ag6SbAsS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.97527597
_cell_length_b 10.97527597
_cell_length_c 9.30576224
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,329 | 39,491 | mp-998365 | -1.833497 | 1.9448 | NiAgF3 | 0.051729 | ['Ag', 'F', 'Ni'] | # generated using pymatgen
data_NiAgF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00395400
_cell_length_b 4.00395400
_cell_length_c 4.00395400
_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_NiAgF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00395400
_cell_length_b 4.00395400
_cell_length_c 4.00395400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,330 | 19,812 | mp-3167 | -0.504101 | 0.6279 | Hg2GeSe4 | 0 | ['Ge', 'Hg', 'Se'] | # generated using pymatgen
data_Hg2GeSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15338443
_cell_length_b 7.15338443
_cell_length_c 7.15338443
_cell_angle_alpha 131.92466774
_cell_angle_beta 131.92466774
_cell_angle_gamma 70.34803205
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 82 | 82 | # generated using pymatgen
data_Hg2GeSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82767800
_cell_length_b 5.82767800
_cell_length_c 11.69444199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,331 | 10,390 | mp-569060 | -0.941329 | 1.5158 | Cs2PSe5 | 0 | ['Cs', 'P', 'Se'] | # generated using pymatgen
data_Cs2PSe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61495600
_cell_length_b 7.77226719
_cell_length_c 10.45290936
_cell_angle_alpha 85.16390862
_cell_angle_beta 87.55491645
_cell_angle_gamma 85.84833146
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_Cs2PSe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61495600
_cell_length_b 7.77226719
_cell_length_c 10.45290936
_cell_angle_alpha 85.16390862
_cell_angle_beta 87.55491645
_cell_angle_gamma 85.84833146
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,332 | 36,852 | mp-3770 | -0.632959 | 0 | Li2Ce2Ge3 | 0.041152 | ['Ce', 'Ge', 'Li'] | # generated using pymatgen
data_Li2Ce2Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.59382009
_cell_length_b 9.59382009
_cell_length_c 6.88055800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 153.18074302
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 63 | 63 | # generated using pymatgen
data_Li2Ce2Ge3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44983200
_cell_length_b 18.66452600
_cell_length_c 6.88055800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,333 | 28,648 | mp-1189362 | -0.213254 | 0 | Dy2Ga5Cu12 | 0.015348 | ['Cu', 'Dy', 'Ga'] | # generated using pymatgen
data_Dy2Ga5Cu12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55423837
_cell_length_b 6.55423837
_cell_length_c 6.55423769
_cell_angle_alpha 83.31953901
_cell_angle_beta 83.31953901
_cell_angle_gamma 83.31953554
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Dy2Ga5Cu12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.71328192
_cell_length_b 8.71328192
_cell_length_c 12.60390792
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,334 | 24,495 | mp-982873 | -0.078103 | 0 | Na3Tl | 0.00598 | ['Na', 'Tl'] | # generated using pymatgen
data_Na3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57727928
_cell_length_b 5.57727928
_cell_length_c 5.57727928
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 225 | 225 | # generated using pymatgen
data_Na3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88746400
_cell_length_b 7.88746400
_cell_length_c 7.88746400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
26,335 | 17,783 | mp-22007 | -0.943017 | 1.5399 | CsIn5S8 | 0 | ['Cs', 'In', 'S'] | # generated using pymatgen
data_CsIn5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.87440626
_cell_length_b 9.87440626
_cell_length_c 9.46527776
_cell_angle_alpha 78.37594019
_cell_angle_beta 78.37594019
_cell_angle_gamma 22.97749965
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_CsIn5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.35312200
_cell_length_b 3.93348000
_cell_length_c 9.46527776
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.86514364
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,336 | 35,852 | mp-554238 | -0.915338 | 0.6788 | CuBiSCl2 | 0.037004 | ['Cu', 'Bi', 'S', 'Cl'] | # generated using pymatgen
data_CuBiSCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82319842
_cell_length_b 6.82319842
_cell_length_c 8.48403200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 145.38625778
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_CuBiSCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05965800
_cell_length_b 13.02855800
_cell_length_c 8.48403200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,337 | 10,681 | mp-1228434 | -2.195661 | 0 | Ba2LaTlCu2O7 | 0 | ['Ba', 'Cu', 'La', 'O', 'Tl'] | # generated using pymatgen
data_Ba2LaTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94580200
_cell_length_b 3.97539300
_cell_length_c 12.85357200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 25 | 25 | # generated using pymatgen
data_Ba2LaTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94580200
_cell_length_b 3.97539300
_cell_length_c 12.85357200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,338 | 32,115 | mp-1186551 | 0.024938 | 0 | PmEr3 | 0.024938 | ['Er', 'Pm'] | # generated using pymatgen
data_PmEr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00440300
_cell_length_b 5.00440300
_cell_length_c 5.00440300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 221 | 221 | # generated using pymatgen
data_PmEr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00440300
_cell_length_b 5.00440300
_cell_length_c 5.00440300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
26,339 | 4,232 | mp-1364 | -0.431825 | 0 | YNi | 0 | ['Y', 'Ni'] | # generated using pymatgen
data_YNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13124500
_cell_length_b 5.48143100
_cell_length_c 7.14549800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YNi... | 62 | 62 | # generated using pymatgen
data_YNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13124500
_cell_length_b 5.48143100
_cell_length_c 7.14549800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YNi... |
26,340 | 29,325 | mp-21360 | -0.287779 | 0 | NdInCu2 | 0.016717 | ['Cu', 'In', 'Nd'] | # generated using pymatgen
data_NdInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79399306
_cell_length_b 4.79399306
_cell_length_c 4.79399306
_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_NdInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77973000
_cell_length_b 6.77973000
_cell_length_c 6.77973000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,341 | 12,445 | mp-863734 | -0.191333 | 0 | ErPaTc2 | 0 | ['Er', 'Pa', 'Tc'] | # generated using pymatgen
data_ErPaTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83028178
_cell_length_b 4.83028178
_cell_length_c 4.83028178
_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_ErPaTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83105000
_cell_length_b 6.83105000
_cell_length_c 6.83105000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,342 | 43,141 | mp-1190274 | -0.017781 | 0 | Co3Sn2 | 0.068962 | ['Co', 'Sn'] | # generated using pymatgen
data_Co3Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24707800
_cell_length_b 7.00955800
_cell_length_c 8.17431400
_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_Co3Sn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24707800
_cell_length_b 7.00955800
_cell_length_c 8.17431400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,343 | 25,572 | mp-1111932 | -2.378043 | 3.7888 | K2LiScCl6 | 0.008982 | ['Cl', 'K', 'Li', 'Sc'] | # generated using pymatgen
data_K2LiScCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16016044
_cell_length_b 7.16016044
_cell_length_c 7.16016044
_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_K2LiScCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.12599600
_cell_length_b 10.12599600
_cell_length_c 10.12599600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,344 | 17,232 | mp-16251 | -0.524297 | 0 | Yb(SiAu)2 | 0 | ['Au', 'Si', 'Yb'] | # generated using pymatgen
data_Yb(SiAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88161764
_cell_length_b 5.88161764
_cell_length_c 5.88161764
_cell_angle_alpha 136.40305546
_cell_angle_beta 136.40305546
_cell_angle_gamma 63.35781694
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Yb(SiAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36819600
_cell_length_b 4.36819600
_cell_length_c 10.01056600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,345 | 13,606 | mp-1183500 | -0.41537 | 0 | CaAcTl2 | 0 | ['Ac', 'Ca', 'Tl'] | # generated using pymatgen
data_CaAcTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72474216
_cell_length_b 5.72474216
_cell_length_c 5.72474216
_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_CaAcTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09600800
_cell_length_b 8.09600800
_cell_length_c 8.09600800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,346 | 29,545 | mp-1095230 | -2.09467 | 3.2688 | CaSeO4 | 0.018705 | ['Ca', 'O', 'Se'] | # generated using pymatgen
data_CaSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98240176
_cell_length_b 6.98240176
_cell_length_c 6.98240176
_cell_angle_alpha 137.06532355
_cell_angle_beta 137.06532355
_cell_angle_gamma 62.33755806
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 88 | 88 | # generated using pymatgen
data_CaSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11071000
_cell_length_b 5.11071000
_cell_length_c 11.94893401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,347 | 11,144 | mp-1206255 | -0.382199 | 0 | ErIn5Rh | 0 | ['Er', 'In', 'Rh'] | # generated using pymatgen
data_ErIn5Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67364000
_cell_length_b 4.67364000
_cell_length_c 7.48543700
_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_ErIn5Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67364000
_cell_length_b 4.67364000
_cell_length_c 7.48543700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,348 | 17,112 | mp-1187418 | -0.254 | 0 | Ti2AlW | 0 | ['Al', 'Ti', 'W'] | # generated using pymatgen
data_Ti2AlW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50035565
_cell_length_b 4.50035565
_cell_length_c 4.50035565
_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_Ti2AlW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36446400
_cell_length_b 6.36446400
_cell_length_c 6.36446400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,349 | 10,805 | mp-3239 | -0.80637 | 0 | Er(CoSi)2 | 0 | ['Er', 'Co', 'Si'] | # generated using pymatgen
data_Er(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57017918
_cell_length_b 5.57017918
_cell_length_c 5.57017918
_cell_angle_alpha 139.42363907
_cell_angle_beta 139.42363907
_cell_angle_gamma 58.72947508
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Er(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86283200
_cell_length_b 3.86283200
_cell_length_c 9.70899800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,350 | 24,317 | mp-18573 | -0.348159 | 0 | La3ZnNi3 | 0.006578 | ['La', 'Ni', 'Zn'] | # generated using pymatgen
data_La3ZnNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54082480
_cell_length_b 5.54082480
_cell_length_c 13.62949300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.64659761
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 63 | 63 | # generated using pymatgen
data_La3ZnNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27231800
_cell_length_b 10.22498199
_cell_length_c 13.62949300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,351 | 14,022 | mp-1029404 | -0.299476 | 1.5723 | KGe2N3 | 0 | ['K', 'Ge', 'N'] | # generated using pymatgen
data_KGe2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88303524
_cell_length_b 5.88303524
_cell_length_c 5.32150600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.38115970
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 36 | 36 | # generated using pymatgen
data_KGe2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02639401
_cell_length_b 10.10559201
_cell_length_c 5.32150600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,352 | 11,383 | mp-568049 | -0.486379 | 0 | NdMgSi2 | 0 | ['Mg', 'Nd', 'Si'] | # generated using pymatgen
data_NdMgSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.65577684
_cell_length_b 18.65577684
_cell_length_c 18.65577684
_cell_angle_alpha 166.88595679
_cell_angle_beta 166.88595679
_cell_angle_gamma 18.58699707
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 141 | 141 | # generated using pymatgen
data_NdMgSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26068000
_cell_length_b 4.26068000
_cell_length_c 36.82180400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,353 | 24,679 | mp-1216447 | -0.494439 | 0 | V4HC3 | 0.007498 | ['C', 'H', 'V'] | # generated using pymatgen
data_V4HC3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.63052152
_cell_length_b 9.63052152
_cell_length_c 9.63052124
_cell_angle_alpha 17.47375669
_cell_angle_beta 17.47375669
_cell_angle_gamma 17.47376114
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 166 | 166 | # generated using pymatgen
data_V4HC3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92569561
_cell_length_b 2.92569561
_cell_length_c 28.44368831
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,354 | 34,401 | mp-7466 | -1.723325 | 0 | CaCu2O3 | 0.031315 | ['Ca', 'Cu', 'O'] | # generated using pymatgen
data_CaCu2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65127000
_cell_length_b 4.13628300
_cell_length_c 10.08905500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 59 | 59 | # generated using pymatgen
data_CaCu2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65127000
_cell_length_b 4.13628300
_cell_length_c 10.08905500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,355 | 44,542 | mp-1030517 | -0.90841 | 0 | TeMoWSeS2 | 0.077249 | ['Mo', 'S', 'Se', 'Te', 'W'] | # generated using pymatgen
data_TeMoWSeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30389748
_cell_length_b 3.30389748
_cell_length_c 37.62313300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998960
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 156 | 156 | # generated using pymatgen
data_TeMoWSeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30389748
_cell_length_b 3.30389748
_cell_length_c 37.62313300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,356 | 30,634 | mp-1187916 | -0.515 | 0 | ZnInPd2 | 0.020864 | ['In', 'Pd', 'Zn'] | # generated using pymatgen
data_ZnInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52177392
_cell_length_b 4.52177392
_cell_length_c 4.52177392
_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_ZnInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39475400
_cell_length_b 6.39475400
_cell_length_c 6.39475400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,357 | 8,972 | mp-867769 | -0.775274 | 0 | ScZnRh2 | 0 | ['Sc', 'Zn', 'Rh'] | # generated using pymatgen
data_ScZnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42323010
_cell_length_b 4.42323010
_cell_length_c 4.42323010
_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_ScZnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25539200
_cell_length_b 6.25539200
_cell_length_c 6.25539200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,358 | 26,665 | mp-1208792 | -2.205214 | 0 | Sr2PrTlCu2O7 | 0.011137 | ['Cu', 'O', 'Pr', 'Sr', 'Tl'] | # generated using pymatgen
data_Sr2PrTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86703800
_cell_length_b 3.86703800
_cell_length_c 12.33872600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 123 | 123 | # generated using pymatgen
data_Sr2PrTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86703800
_cell_length_b 3.86703800
_cell_length_c 12.33872600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,359 | 33,253 | mp-1227149 | -0.009502 | 0 | Ce2Fe17C | 0.028223 | ['C', 'Ce', 'Fe'] | # generated using pymatgen
data_Ce2Fe17C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47467078
_cell_length_b 6.47467078
_cell_length_c 6.48733668
_cell_angle_alpha 83.32950826
_cell_angle_beta 83.32950826
_cell_angle_gamma 83.06727879
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Ce2Fe17C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.69344401
_cell_length_b 8.58618601
_cell_length_c 6.48733668
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.92697738
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,360 | 12,869 | mp-571438 | -0.102487 | 0 | Be12V | 0 | ['Be', 'V'] | # generated using pymatgen
data_Be12V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50427370
_cell_length_b 5.50427370
_cell_length_c 5.50427370
_cell_angle_alpha 98.17200322
_cell_angle_beta 98.17200322
_cell_angle_gamma 135.70137115
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Be12V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20977800
_cell_length_b 7.20977800
_cell_length_c 4.15046000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
26,361 | 22,823 | mp-28006 | -0.343784 | 0 | Ca(Cu2As)2 | 0.004056 | ['Ca', 'Cu', 'As'] | # generated using pymatgen
data_Ca(Cu2As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90480389
_cell_length_b 7.90480389
_cell_length_c 7.90480383
_cell_angle_alpha 30.54172004
_cell_angle_beta 30.54172004
_cell_angle_gamma 30.54172545
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Ca(Cu2As)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16397363
_cell_length_b 4.16397363
_cell_length_c 22.59108877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,362 | 20,466 | mp-8786 | -1.012796 | 0 | Zr2NiAs2 | 0 | ['Zr', 'Ni', 'As'] | # generated using pymatgen
data_Zr2NiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94980708
_cell_length_b 3.94980708
_cell_length_c 13.16452600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998451
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 194 | 194 | # generated using pymatgen
data_Zr2NiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94980708
_cell_length_b 3.94980708
_cell_length_c 13.16452600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,363 | 40,496 | mvc-2131 | -2.44124 | 1.1785 | Ca(WO3)2 | 0.054949 | ['Ca', 'O', 'W'] | # generated using pymatgen
data_Ca(WO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51868500
_cell_length_b 5.58303305
_cell_length_c 7.81652504
_cell_angle_alpha 89.79225458
_cell_angle_beta 89.97646310
_cell_angle_gamma 89.99250839
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_Ca(WO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51868500
_cell_length_b 5.58303305
_cell_length_c 7.81652504
_cell_angle_alpha 89.79225458
_cell_angle_beta 89.97646310
_cell_angle_gamma 89.99250839
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,364 | 8,596 | mp-1105570 | -0.547555 | 0 | TaMnSi | 0 | ['Mn', 'Si', 'Ta'] | # generated using pymatgen
data_TaMnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27117210
_cell_length_b 7.27117210
_cell_length_c 7.27117210
_cell_angle_alpha 127.79365443
_cell_angle_beta 121.99095764
_cell_angle_gamma 81.80138784
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 46 | 46 | # generated using pymatgen
data_TaMnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39847000
_cell_length_b 7.05127200
_cell_length_c 10.99176600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,365 | 34,635 | mp-1185606 | 0.032762 | 0 | La3Ho | 0.032762 | ['Ho', 'La'] | # generated using pymatgen
data_La3Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43430202
_cell_length_b 6.43430202
_cell_length_c 6.43430202
_cell_angle_alpha 132.01174355
_cell_angle_beta 132.01174355
_cell_angle_gamma 70.21047987
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_La3Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23292800
_cell_length_b 5.23292800
_cell_length_c 10.52776800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,366 | 41,394 | mp-753707 | -1.532433 | 0 | Bi3O5 | 0.059433 | ['Bi', 'O'] | # generated using pymatgen
data_Bi3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72979664
_cell_length_b 6.72979664
_cell_length_c 8.30862702
_cell_angle_alpha 71.21979172
_cell_angle_beta 71.21979172
_cell_angle_gamma 50.36880005
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 15 | 15 | # generated using pymatgen
data_Bi3O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.18016400
_cell_length_b 5.72750000
_cell_length_c 8.30862702
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.83977086
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,367 | 34,030 | mp-1094247 | -0.10949 | 0 | MgSn | 0.030862 | ['Mg', 'Sn'] | # generated using pymatgen
data_MgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30032623
_cell_length_b 5.30032623
_cell_length_c 5.30032578
_cell_angle_alpha 37.31814789
_cell_angle_beta 37.31814789
_cell_angle_gamma 37.31815064
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | 166 | 166 | # generated using pymatgen
data_MgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39153381
_cell_length_b 3.39153381
_cell_length_c 14.77611605
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,368 | 5,153 | mp-1208999 | -0.460733 | 0 | ScAgSn | 0 | ['Ag', 'Sc', 'Sn'] | # generated using pymatgen
data_ScAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41511581
_cell_length_b 8.41511581
_cell_length_c 8.41511581
_cell_angle_alpha 129.42777156
_cell_angle_beta 117.04488750
_cell_angle_gamma 84.84827878
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 46 | 46 | # generated using pymatgen
data_ScAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18884400
_cell_length_b 8.78815000
_cell_length_c 12.42359199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,369 | 28,257 | mp-1226727 | -0.540389 | 0.005 | CdInAgTe3 | 0.014358 | ['Ag', 'Cd', 'In', 'Te'] | # generated using pymatgen
data_CdInAgTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06604210
_cell_length_b 8.06604210
_cell_length_c 6.60724511
_cell_angle_alpha 65.86033626
_cell_angle_beta 65.86033626
_cell_angle_gamma 33.48476014
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 8 | 8 | # generated using pymatgen
data_CdInAgTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.44823999
_cell_length_b 4.64715200
_cell_length_c 6.60724511
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.28148803
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,370 | 28,266 | mp-1227701 | -3.027073 | 3.4249 | BaSrCaWO6 | 0.014144 | ['Ba', 'Ca', 'O', 'Sr', 'W'] | # generated using pymatgen
data_BaSrCaWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93057098
_cell_length_b 5.93057098
_cell_length_c 5.98633769
_cell_angle_alpha 60.22622977
_cell_angle_beta 60.22622977
_cell_angle_gamma 60.32128729
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 8 | 8 | # generated using pymatgen
data_BaSrCaWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25538200
_cell_length_b 5.95934800
_cell_length_c 5.98633769
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.05267460
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,371 | 14,061 | mp-1102387 | -0.368613 | 0 | MgNiGe | 0 | ['Ge', 'Mg', 'Ni'] | # generated using pymatgen
data_MgNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47975500
_cell_length_b 4.10650400
_cell_length_c 6.93888100
_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_MgNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10650400
_cell_length_b 6.47975500
_cell_length_c 6.93888100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,372 | 28,337 | mp-28633 | -1.085479 | 0.8927 | Re(TeCl6)2 | 0.014441 | ['Cl', 'Re', 'Te'] | # generated using pymatgen
data_Re(TeCl6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76787727
_cell_length_b 7.23238150
_cell_length_c 11.30611781
_cell_angle_alpha 71.91776943
_cell_angle_beta 88.41772774
_cell_angle_gamma 63.12759226
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_Re(TeCl6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76787727
_cell_length_b 7.23238150
_cell_length_c 11.37434540
_cell_angle_alpha 70.89317191
_cell_angle_beta 74.93225576
_cell_angle_gamma 63.12759226
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,373 | 10,905 | mp-755419 | -1.265789 | 0 | Bi2TeO2 | 0 | ['Bi', 'O', 'Te'] | # generated using pymatgen
data_Bi2TeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03157065
_cell_length_b 7.04584932
_cell_length_c 4.01631068
_cell_angle_alpha 73.16678676
_cell_angle_beta 90.01466668
_cell_angle_gamma 106.20259342
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 42 | 42 | # generated using pymatgen
data_Bi2TeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68999329
_cell_length_b 5.69145000
_cell_length_c 12.90288580
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,374 | 2,299 | mp-22908 | -1.391911 | 3.426 | BiCl3 | 0 | ['Bi', 'Cl'] | # generated using pymatgen
data_BiCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78816500
_cell_length_b 8.37319200
_cell_length_c 8.81509200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 62 | 62 | # generated using pymatgen
data_BiCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78816500
_cell_length_b 8.37319200
_cell_length_c 8.81509200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
26,375 | 3,454 | mp-864975 | -0.808774 | 0 | Mg2PdPt | 0 | ['Mg', 'Pd', 'Pt'] | # generated using pymatgen
data_Mg2PdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49323650
_cell_length_b 4.49323650
_cell_length_c 4.49323650
_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_Mg2PdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35439600
_cell_length_b 6.35439600
_cell_length_c 6.35439600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,376 | 6,671 | mp-1210 | -0.179234 | 0 | ThCd2 | 0 | ['Th', 'Cd'] | # generated using pymatgen
data_ThCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15013857
_cell_length_b 5.15013857
_cell_length_c 3.37796900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000733
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_ThCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15013857
_cell_length_b 5.15013857
_cell_length_c 3.37796900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,377 | 6,633 | mp-11914 | -2.703508 | 0 | NaLa2IrO6 | 0 | ['Ir', 'La', 'Na', 'O'] | # generated using pymatgen
data_NaLa2IrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02085200
_cell_length_b 5.63112800
_cell_length_c 9.82039196
_cell_angle_alpha 55.71531504
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_NaLa2IrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63112800
_cell_length_b 6.02085200
_cell_length_c 9.82039196
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.28468496
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,378 | 15,442 | mp-864789 | -0.720422 | 0.027 | Yb2SnHg | 0 | ['Yb', 'Sn', 'Hg'] | # generated using pymatgen
data_Yb2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36424781
_cell_length_b 5.36424781
_cell_length_c 5.36424781
_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_Yb2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58619200
_cell_length_b 7.58619200
_cell_length_c 7.58619200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,379 | 718 | mp-17534 | -0.772696 | 0 | Ho2Ge5Rh3 | 0 | ['Ge', 'Ho', 'Rh'] | # generated using pymatgen
data_Ho2Ge5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34830337
_cell_length_b 8.34830337
_cell_length_c 5.88265893
_cell_angle_alpha 71.36080199
_cell_angle_beta 71.36080199
_cell_angle_gamma 94.40596999
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 15 | 15 | # generated using pymatgen
data_Ho2Ge5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.34372600
_cell_length_b 12.25139000
_cell_length_c 5.88265893
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.06183449
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,380 | 42,815 | mp-22086 | -2.797659 | 2.987 | Ba3WO6 | 0.067516 | ['Ba', 'O', 'W'] | # generated using pymatgen
data_Ba3WO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42579893
_cell_length_b 6.42579893
_cell_length_c 6.42579893
_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_Ba3WO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.08745200
_cell_length_b 9.08745200
_cell_length_c 9.08745200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,381 | 30,410 | mp-754224 | -1.971877 | 3.7641 | BaSr2I6 | 0.019809 | ['Ba', 'I', 'Sr'] | # generated using pymatgen
data_BaSr2I6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88820700
_cell_length_b 7.88820700
_cell_length_c 15.26868200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 136 | 136 | # generated using pymatgen
data_BaSr2I6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88820700
_cell_length_b 7.88820700
_cell_length_c 15.26868200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,382 | 5,974 | mp-8861 | -3.344639 | 6.2488 | Rb2MgF4 | 0 | ['Rb', 'Mg', 'F'] | # generated using pymatgen
data_Rb2MgF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59337592
_cell_length_b 7.59337592
_cell_length_c 7.59337592
_cell_angle_alpha 148.44413533
_cell_angle_beta 148.44413533
_cell_angle_gamma 45.23015821
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Rb2MgF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12942400
_cell_length_b 4.12942400
_cell_length_c 14.01902801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,383 | 17,801 | mp-2436 | -0.261025 | 0 | EuZn5 | 0 | ['Eu', 'Zn'] | # generated using pymatgen
data_EuZn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45044043
_cell_length_b 5.45044043
_cell_length_c 4.27652700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000524
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_EuZn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45044043
_cell_length_b 5.45044043
_cell_length_c 4.27652700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,384 | 12,541 | mp-1092278 | -0.462005 | 0 | Mn(BMo)2 | 0 | ['B', 'Mn', 'Mo'] | # generated using pymatgen
data_Mn(BMo)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79346400
_cell_length_b 5.79346400
_cell_length_c 3.13735300
_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_Mn(BMo)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79346400
_cell_length_b 5.79346400
_cell_length_c 3.13735300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,385 | 8,500 | mp-1007908 | -1.261337 | 0.8362 | DyTlTe2 | 0 | ['Dy', 'Tl', 'Te'] | # generated using pymatgen
data_DyTlTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63314304
_cell_length_b 8.63314304
_cell_length_c 8.63314254
_cell_angle_alpha 29.85069480
_cell_angle_beta 29.85069480
_cell_angle_gamma 29.85069738
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_DyTlTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44710975
_cell_length_b 4.44710975
_cell_length_c 24.72751605
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,386 | 43,282 | mp-1523254 | -2.328042 | 0 | Sr2GaBiO6 | 0.069546 | ['Bi', 'Ga', 'O', 'Sr'] | # generated using pymatgen
data_Sr2GaBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78956456
_cell_length_b 5.78956456
_cell_length_c 5.78956456
_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_Sr2GaBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18768072
_cell_length_b 8.18768072
_cell_length_c 8.18768072
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,387 | 3,647 | mp-1207263 | -0.396136 | 0 | Zr6FeSn2 | 0 | ['Fe', 'Sn', 'Zr'] | # generated using pymatgen
data_Zr6FeSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48078800
_cell_length_b 8.03660740
_cell_length_c 8.03660740
_cell_angle_alpha 119.99999509
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 189 | 189 | # generated using pymatgen
data_Zr6FeSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03660740
_cell_length_b 8.03660740
_cell_length_c 3.48078800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,388 | 11,616 | mp-1187150 | -0.764201 | 0 | SrAcAu2 | 0 | ['Ac', 'Au', 'Sr'] | # generated using pymatgen
data_SrAcAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49058233
_cell_length_b 5.49058233
_cell_length_c 5.49058233
_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_SrAcAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76485600
_cell_length_b 7.76485600
_cell_length_c 7.76485600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,389 | 41,823 | mp-35555 | -4.196301 | 4.764 | LaOF | 0.061105 | ['F', 'La', 'O'] | # generated using pymatgen
data_LaOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07810967
_cell_length_b 4.07810967
_cell_length_c 4.07810967
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La... | 216 | 216 | # generated using pymatgen
data_LaOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76731800
_cell_length_b 5.76731800
_cell_length_c 5.76731800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La... |
26,390 | 19,023 | mp-1070544 | -0.156328 | 0 | CrGa4 | 0 | ['Cr', 'Ga'] | # generated using pymatgen
data_CrGa4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91297944
_cell_length_b 4.91297944
_cell_length_c 4.91297944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 229 | 229 | # generated using pymatgen
data_CrGa4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67302000
_cell_length_b 5.67302000
_cell_length_c 5.67302000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,391 | 18,508 | mp-1025250 | -1.608703 | 0.8823 | RhF6 | 0 | ['F', 'Rh'] | # generated using pymatgen
data_RhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58966917
_cell_length_b 5.58966917
_cell_length_c 5.58966917
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 229 | 229 | # generated using pymatgen
data_RhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45439400
_cell_length_b 6.45439400
_cell_length_c 6.45439400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rh... |
26,392 | 3,963 | mp-867295 | -0.276141 | 0 | LiCeTl2 | 0 | ['Ce', 'Li', 'Tl'] | # generated using pymatgen
data_LiCeTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28664142
_cell_length_b 5.28664142
_cell_length_c 5.28664142
_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_LiCeTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47644000
_cell_length_b 7.47644000
_cell_length_c 7.47644000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,393 | 39,578 | mp-1112617 | -2.140874 | 2.3993 | Cs2PrCuCl6 | 0.053706 | ['Cl', 'Cs', 'Cu', 'Pr'] | # generated using pymatgen
data_Cs2PrCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57124262
_cell_length_b 7.57124262
_cell_length_c 7.57124262
_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_Cs2PrCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.70735400
_cell_length_b 10.70735400
_cell_length_c 10.70735400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,394 | 36,158 | mp-1209191 | -1.828409 | 3.091 | RbPbCl3 | 0.038353 | ['Cl', 'Pb', 'Rb'] | # generated using pymatgen
data_RbPbCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72307600
_cell_length_b 5.72307600
_cell_length_c 5.72307600
_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_RbPbCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72307600
_cell_length_b 5.72307600
_cell_length_c 5.72307600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,395 | 44,495 | mvc-3992 | -1.951951 | 0 | Ca2Ni2O5 | 0.075429 | ['Ca', 'Ni', 'O'] | # generated using pymatgen
data_Ca2Ni2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78554700
_cell_length_b 5.35035600
_cell_length_c 10.31448400
_cell_angle_alpha 90.00342271
_cell_angle_beta 90.00002624
_cell_angle_gamma 90.00002584
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 55 | 55 | # generated using pymatgen
data_Ca2Ni2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78554700
_cell_length_b 5.35035600
_cell_length_c 10.31448400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,396 | 35,264 | mp-1226773 | -0.54098 | 0.0048 | CdAg2SnS4 | 0.034729 | ['Ag', 'Cd', 'S', 'Sn'] | # generated using pymatgen
data_CdAg2SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14278400
_cell_length_b 6.82898300
_cell_length_c 7.24521873
_cell_angle_alpha 89.88060370
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 6 | 6 | # generated using pymatgen
data_CdAg2SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82898300
_cell_length_b 4.14278400
_cell_length_c 7.24521873
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.11939630
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,397 | 6,853 | mp-4360 | -2.673638 | 3.482 | NaCdF3 | 0 | ['Cd', 'F', 'Na'] | # generated using pymatgen
data_NaCdF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13913465
_cell_length_b 6.13913465
_cell_length_c 6.13913532
_cell_angle_alpha 56.71430703
_cell_angle_beta 56.71430703
_cell_angle_gamma 56.71431017
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 161 | 161 | # generated using pymatgen
data_NaCdF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83176401
_cell_length_b 5.83176401
_cell_length_c 15.40040189
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,398 | 44,422 | mp-757214 | -2.026783 | 1.9304 | Li3TiCo3O8 | 0.075084 | ['Co', 'Li', 'O', 'Ti'] | # generated using pymatgen
data_Li3TiCo3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86380220
_cell_length_b 5.86380220
_cell_length_c 5.86380147
_cell_angle_alpha 57.96213503
_cell_angle_beta 57.96213503
_cell_angle_gamma 57.96213724
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Li3TiCo3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68226572
_cell_length_b 5.68226572
_cell_length_c 14.58057381
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,399 | 34,819 | mp-22060 | 0.032275 | 0 | Nb3In | 0.032275 | ['Nb', 'In'] | # generated using pymatgen
data_Nb3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33996500
_cell_length_b 5.33996500
_cell_length_c 5.33996500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 223 | 223 | # generated using pymatgen
data_Nb3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33996500
_cell_length_b 5.33996500
_cell_length_c 5.33996500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
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