ids stringlengths 4 10 | material_id stringlengths 4 10 | pretty_formula stringlengths 1 17 | cif stringlengths 689 1.73k | cif.conv stringlengths 696 5.07k | pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 11.8 | e_above_hull float64 0 0.08 | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | elements listlengths 1 7 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1095513 | mp-1095513 | SrCdAu | # generated using pymatgen
data_SrCdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56985400
_cell_length_b 7.91869000
_cell_length_c 9.02089100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrCdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56985400
_cell_length_b 7.91869000
_cell_length_c 9.02089100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1424635,
0.2678892827,
2.8477148708800004
],
[
1.1424634999999999,
4.2272342827000005,
1.6627306291200006
],
[
3.4273905,
7.650800717299999,
6.173176129120002
],
[
3.4273905,
3.6914557172999998,
7.35816037088
],
[
1.1424635,
1.15121123351,
... | [
[
4.569854,
0,
2.7982285368353646e-16
],
[
-4.848799180970077e-16,
7.91869,
4.848799180970077e-16
],
[
0,
0,
9.020891
]
] | [
38,
38,
38,
38,
48,
48,
48,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.603948 | 0 | 0 | 62 | 62 | [
"Au",
"Cd",
"Sr"
] |
mp-554375 | mp-554375 | DyMn4(CuO4)3 | # generated using pymatgen
data_DyMn4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41573097
_cell_length_b 6.41573097
_cell_length_c 6.41573097
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_DyMn4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40824801
_cell_length_b 7.40824801
_cell_length_c 7.40824801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
-1.7763568394002505e-15,
5.238422401011965,
3.207865485
],
[
3.0244045840236855,
5.238422401011965,
-1.0692884954740896
],
[
1.5122022920118428,
2.6192112005059824,
1.0692884947629553
],
[
-1.5122022920118434,
2.6192112005059824,... | [
[
6.048809168047373,
0,
-2.138576990948179
],
[
-3.0244045840236873,
5.238422401011965,
-2.138576989525911
],
[
0,
0,
6.41573097
]
] | [
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25,
25,
25,
25,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.845404 | 0 | 0.041997 | 204 | 204 | [
"Cu",
"Dy",
"Mn",
"O"
] |
mp-5850 | mp-5850 | ErSnPd2 | # generated using pymatgen
data_ErSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78219427
_cell_length_b 4.78219427
_cell_length_c 4.78219427
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76304399
_cell_length_b 6.76304399
_cell_length_c 6.76304399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.761001149101586,
1.9523226353935814,
4.78219427
],
[
0,
0,
0
],
[
1.3805005745507926,
0.9761613176967898,
2.391097135
],
[
4.141501723652379,
2.928483953090372,
7.1732914050000005
]
] | [
[
4.141501723652379,
0,
2.3910971350000003
],
[
1.380500574550793,
3.904645270787163,
2.3910971350000003
],
[
0,
0,
4.78219427
]
] | [
68,
50,
46,
46
] | [
1,
1,
1
] | -0.8913 | 0 | 0 | 225 | 225 | [
"Er",
"Pd",
"Sn"
] |
mp-1217787 | mp-1217787 | SrSmMn2O6 | # generated using pymatgen
data_SrSmMn2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53953300
_cell_length_b 5.54036200
_cell_length_c 7.72537300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SrSmMn2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53953300
_cell_length_b 5.54036200
_cell_length_c 7.72537300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.7789122689829995,
1.474589507748,
3.8626865000000006
],
[
0.00914576898299975,
4.065772492252,
2.4951678027042704e-16
],
[
5.461990617066,
4.358248202232,
3.8626865000000006
],
[
2.692224117066,
1.182113797768,
2.3723477631083443e-16
],
[
5.536... | [
[
5.539533,
0,
3.3919856786105674e-16
],
[
-3.392493294708814e-16,
5.540362,
3.392493294708814e-16
],
[
0,
0,
7.725373
]
] | [
38,
38,
62,
62,
25,
25,
25,
25,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.739726 | 0 | 0.009306 | 31 | 31 | [
"Mn",
"O",
"Sm",
"Sr"
] |
mp-1568159 | mp-1568159 | Li3V4FeO12 | # generated using pymatgen
data_Li3V4FeO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91977806
_cell_length_b 6.89362500
_cell_length_c 5.88762091
_cell_angle_alpha 73.60166220
_cell_angle_beta 105.30096130
_cell_angle_gamma 98.50222867
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Li3V4FeO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88762091
_cell_length_b 6.89362500
_cell_length_c 6.91977806
_cell_angle_alpha 81.49777133
_cell_angle_beta 74.69903870
_cell_angle_gamma 73.60166220
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.472287112557721,
0.6042657538118621,
7.511846691032556
],
[
1.4956287348231372,
1.8691886302631864,
5.94201875829263
],
[
5.321223382584286,
5.101803741492778,
3.6581678776812865
],
[
5.456398814566239,
4.064476798803913,
7.34575858467086
],
[
... | [
[
5.678922359200819,
0,
1.5536797668883457
],
[
1.7388430792134748,
6.59239757161565,
1.0192078513495157
],
[
0,
0,
6.919778059999999
]
] | [
3,
3,
3,
23,
23,
23,
23,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.32179 | 1.2533 | 0.050711 | 1 | 1 | [
"Fe",
"Li",
"O",
"V"
] |
mp-1183553 | mp-1183553 | CaTbPd2 | # generated using pymatgen
data_CaTbPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98323746
_cell_length_b 4.98323746
_cell_length_c 4.98323746
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaTbPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04736200
_cell_length_b 7.04736200
_cell_length_c 7.04736200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8770734889668264,
2.0343981740204824,
4.98323746
],
[
0,
0,
0
],
[
1.438536744483413,
1.0171990870102405,
2.49161873
],
[
4.31561023345024,
3.0515972610307243,
7.474856190000001
]
] | [
[
4.31561023345024,
0,
2.4916187300000003
],
[
1.4385367444834134,
4.068796348040966,
2.4916187300000003
],
[
0,
0,
4.98323746
]
] | [
20,
65,
46,
46
] | [
1,
1,
1
] | -0.783326 | 0 | 0.023652 | 225 | 225 | [
"Ca",
"Pd",
"Tb"
] |
mp-1184155 | mp-1184155 | ErHfIr2 | # generated using pymatgen
data_ErHfIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71899731
_cell_length_b 4.71899731
_cell_length_c 4.71899731
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErHfIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67367000
_cell_length_b 6.67367000
_cell_length_c 6.67367000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.724514367233621,
1.9265225845110672,
4.71899731
],
[
0,
0,
0
],
[
1.3622571836168114,
0.9632612922555336,
2.3594986550000008
],
[
4.08677155085043,
2.8897838767666015,
7.078495964999998
]
] | [
[
4.08677155085043,
0,
2.3594986549999994
],
[
1.362257183616809,
3.853045169022136,
2.359498655
],
[
0,
0,
4.718997309999999
]
] | [
68,
72,
77,
77
] | [
1,
1,
1
] | -0.883603 | 0 | 0.051185 | 225 | 225 | [
"Er",
"Hf",
"Ir"
] |
mp-1275837 | mp-1275837 | CaCo4(CuO4)3 | # generated using pymatgen
data_CaCo4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35780680
_cell_length_b 6.33358038
_cell_length_c 6.36296385
_cell_angle_alpha 70.47759718
_cell_angle_beta 109.41342142
_cell_angle_gamma 70.64136843
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_CaCo4(CuO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.37803606
_cell_length_b 10.37803606
_cell_length_c 6.36296385
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | [
[
2.984162278440869,
5.200365928338446,
2.1331947855104496
],
[
1.4920811392204352,
2.6001829641692225,
1.0665973927552244
],
[
-1.4926471631410572,
2.6001933649426827,
-1.0566041318764017
],
[
-0.0005540849835395614,
5.200376329111905,
-3.1714674453194096... | [
[
5.969468541419844,
0,
-2.1165268160171706
],
[
-2.9852943262821143,
5.200386729885365,
-2.1132209896805034
],
[
0,
0,
6.36296385
]
] | [
20,
27,
27,
27,
27,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.320925 | 0 | 0.022322 | 148 | 148 | [
"Ca",
"Co",
"Cu",
"O"
] |
mp-570466 | mp-570466 | Li2Ca | # generated using pymatgen
data_Li2Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15276493
_cell_length_b 6.15276493
_cell_length_c 10.09208000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000999
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15276493
_cell_length_b 6.15276493
_cell_length_c 10.09208000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.61152738252444,
0.8898300033781111,
2.523020000000001
],
[
3.0763820004699363,
3.548780337432288,
2.5230200000000016
],
[
1.535145382054503,
4.438620997712402,
7.569060000000001
],
[
-1.5351453820545038,
4.438620997712402,
7.56906
],
[
1.541236... | [
[
6.152764000939874,
0,
1.7429361887686534e-15
],
[
-3.0763820004699376,
5.328451001090513,
3.7674819387152943e-16
],
[
0,
0,
10.09208
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
20,
20,
20,
20
] | [
1,
1,
1
] | -0.007739 | 0 | 0.003874 | 194 | 194 | [
"Li",
"Ca"
] |
mp-23717 | mp-23717 | Ca2MgP2(H2O5)2 | # generated using pymatgen
data_Ca2MgP2(H2O5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51251900
_cell_length_b 5.77383826
_cell_length_c 6.88634859
_cell_angle_alpha 107.64216018
_cell_angle_beta 97.09591799
_cell_angle_gamma 108.73521952
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_Ca2MgP2(H2O5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51251900
_cell_length_b 5.77383826
_cell_length_c 6.88634859
_cell_angle_alpha 107.64216018
_cell_angle_beta 97.09591799
_cell_angle_gamma 108.73521952
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
0.44289266210323824,
3.5671077328322927,
0.1929135204492834
],
[
2.940728593978769,
1.5241492327621442,
4.262585223897924
],
[
0,
0,
0
],
[
0.45627967226673255,
3.379927670492213,
3.818652694217096
],
[
2.927341583815274,
1.7113292951022236,
... | [
[
5.470297190858723,
0,
-0.6809657620204931
],
[
-2.086675934776716,
5.091256965594437,
-1.7498840836322993
],
[
0,
0,
6.88634859
]
] | [
20,
20,
12,
15,
15,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.623431 | 5.4075 | 0.001036 | 2 | 2 | [
"Ca",
"H",
"Mg",
"O",
"P"
] |
mp-8395 | mp-8395 | CaTiF5 | # generated using pymatgen
data_CaTiF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67608590
_cell_length_b 5.67608590
_cell_length_c 7.76591910
_cell_angle_alpha 70.14364089
_cell_angle_beta 70.14364089
_cell_angle_gamma 72.16072337
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaTiF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.17473200
_cell_length_b 6.68551400
_cell_length_c 7.76591910
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.85198599
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.41626224198027,
2.393819022410003,
3.8694375902955906
],
[
3.074885397153805,
2.8189177023110004,
7.7523971402955905
],
[
0,
0,
0
],
[
0,
0,
3.88295955
],
[
5.093094020430528,
3.916548036225328,
3.8931956709215605
],
[
1.5674401... | [
[
5.33862620967412,
0,
1.9279578152955905
],
[
1.1525214294599546,
5.212736724721003,
1.9279578152955905
],
[
0,
0,
7.7659191
]
] | [
20,
20,
22,
22,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.896416 | 0.2353 | 0.01189 | 15 | 15 | [
"Ca",
"F",
"Ti"
] |
mp-866045 | mp-866045 | CeYMg2 | # generated using pymatgen
data_CeYMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39887483
_cell_length_b 5.39887483
_cell_length_c 5.39887483
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeYMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63516201
_cell_length_b 7.63516201
_cell_length_c 7.63516201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.117041836421595,
2.204081419775879,
5.3988748300000005
],
[
0,
0,
0
],
[
4.675562754632392,
3.3061221296638186,
8.098312245
],
[
1.5585209182107973,
1.102040709887939,
2.6994374150000002
]
] | [
[
4.675562754632392,
0,
2.6994374150000002
],
[
1.5585209182107975,
4.408162839551758,
2.6994374150000002
],
[
0,
0,
5.39887483
]
] | [
58,
39,
12,
12
] | [
1,
1,
1
] | -0.02643 | 0 | 0.046627 | 225 | 225 | [
"Ce",
"Mg",
"Y"
] |
mp-1215657 | mp-1215657 | Zn9Ga3Mo2 | # generated using pymatgen
data_Zn9Ga3Mo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49533550
_cell_length_b 5.49533550
_cell_length_c 8.82428700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999397
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Zn9Ga3Mo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49533550
_cell_length_b 5.49533550
_cell_length_c 8.82428700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.121502000647739,
2.379550000365785,
1.7249481191848116e-15
],
[
-1.3322676295501878e-15,
4.759100000731569,
8.824287000000002
],
[
1.3738340002159128,
2.379550000365784,
8.824287000000002
],
[
1.4299688574647347,
3.9983293110146225,
6.664578053898001
... | [
[
5.495336000863653,
0,
1.556701993426916e-15
],
[
-2.747668000431828,
4.759100000731569,
3.36492251515791e-16
],
[
0,
0,
8.824287
]
] | [
30,
30,
30,
30,
30,
30,
30,
30,
30,
31,
31,
31,
42,
42
] | [
1,
1,
1
] | -0.117751 | 0 | 0 | 164 | 164 | [
"Ga",
"Mo",
"Zn"
] |
mp-1211950 | mp-1211950 | K2CrF6 | # generated using pymatgen
data_K2CrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89249476
_cell_length_b 5.89249476
_cell_length_c 5.89249476
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2CrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33324601
_cell_length_b 8.33324601
_cell_length_c 8.33324601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.103050153826689,
3.6084013685059064,
8.83874214
],
[
1.7010167179422298,
1.2028004561686354,
2.946247380000001
],
[
0,
0,
0
],
[
2.464433020954702,
3.7315681352175742,
4.268523204144
],
[
4.339633850814216,
1.0796336894569674,
7.5164663... | [
[
5.103050153826689,
0,
2.9462473800000004
],
[
1.7010167179422298,
4.811201824674542,
2.9462473800000004
],
[
0,
0,
5.89249476
]
] | [
19,
19,
24,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.887466 | 0 | 0 | 225 | 225 | [
"Cr",
"F",
"K"
] |
mp-1218986 | mp-1218986 | SmSbTe3 | # generated using pymatgen
data_SmSbTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40387421
_cell_length_b 4.40387421
_cell_length_c 10.83810396
_cell_angle_alpha 78.27782464
_cell_angle_beta 78.27782464
_cell_angle_gamma 59.99999687
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SmSbTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40387411
_cell_length_b 4.40387411
_cell_length_c 31.60693201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.5358386434856257,
1.5060978410747312,
9.454928226025729
],
[
3.830084428537864,
2.274782705032755,
3.2174208480143833
],
[
5.0046737443190965,
2.9724006063894133,
8.394670922742117
],
[
1.3773021269810928,
0.8180140977355591,
4.20030207927595
],
[
... | [
[
4.312028118804317,
0,
0.8947187044786861
],
[
2.0631900212673964,
3.786401118938898,
0.8947187044786861
],
[
0,
0,
10.83810396
]
] | [
62,
51,
52,
52,
52
] | [
1,
1,
1
] | -0.995257 | 0.8488 | 0.058007 | 160 | 160 | [
"Sb",
"Sm",
"Te"
] |
mp-756544 | mp-756544 | LiLaO2 | # generated using pymatgen
data_LiLaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21958900
_cell_length_b 6.73839700
_cell_length_c 6.98770086
_cell_angle_alpha 58.50300677
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiLaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71070326
_cell_length_b 6.21958900
_cell_length_c 6.98770086
_cell_angle_alpha 90.00000000
_cell_angle_beta 121.10895171
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.162190454521,
3.5915230238793896,
0.05315567775113463
],
[
2.0523959545209993,
5.345755979383921,
-1.3154261760412458
],
[
4.167193045479,
0.6124300227916192,
4.966177177181172
],
[
1.0573985454789991,
2.3666629782961506,
3.5975953233887914
],
[
... | [
[
6.219589,
0,
3.8083998804310435e-16
],
[
-3.6483367081444217e-16,
5.958186002175543,
-3.0876459988600757
],
[
0,
0,
6.738397
]
] | [
3,
3,
3,
3,
57,
57,
57,
57,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.181069 | 3.5436 | 0.01337 | 14 | 14 | [
"La",
"Li",
"O"
] |
mp-1102658 | mp-1102658 | NbSiNi | # generated using pymatgen
data_NbSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69342700
_cell_length_b 6.24052000
_cell_length_c 7.07895400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69342700
_cell_length_b 6.24052000
_cell_length_c 7.07895400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.77007025,
3.0021456779599998,
2.2905513036880008
],
[
2.7700702499999994,
6.12240567796,
1.2489256963120006
],
[
0.9233567499999997,
3.2383743220400003,
4.7884026963120006
],
[
0.92335675,
0.11811432204,
5.8300283036880005
],
[
2.77007024999999... | [
[
3.693427,
0,
2.2615717767172055e-16
],
[
-3.8212164215075203e-16,
6.24052,
3.8212164215075203e-16
],
[
0,
0,
7.078954
]
] | [
41,
41,
41,
41,
14,
14,
14,
14,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.697794 | 0 | 0 | 62 | 62 | [
"Nb",
"Ni",
"Si"
] |
mp-760421 | mp-760421 | Zr6BI12 | # generated using pymatgen
data_Zr6BI12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.28257140
_cell_length_b 9.28257140
_cell_length_c 9.28257167
_cell_angle_alpha 107.04663693
_cell_angle_beta 107.04663693
_cell_angle_gamma 107.04663192
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Zr6BI12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.92821035
_cell_length_b 14.92821035
_cell_length_c 10.34121839
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.317572457872002,
0.22365224598920722,
0.015792553706398798
],
[
5.4011584108869615,
5.873926032484618,
4.569192474708469
],
[
5.278667083851792,
7.350838410611648,
1.6290761238665037
],
[
-0.08451462259448081,
0.7247075720280716,
2.211123762879661
],... | [
[
8.874755159400657,
0,
-2.7211858916269174
],
[
-3.6806026981433453,
8.075545982639719,
-2.7211858916269174
],
[
0,
0,
9.28257167
]
] | [
40,
40,
40,
40,
40,
40,
5,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.20705 | 0 | 0 | 148 | 148 | [
"B",
"I",
"Zr"
] |
mp-3985 | mp-3985 | Tm(MnGe)2 | # generated using pymatgen
data_Tm(MnGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07740744
_cell_length_b 6.07740744
_cell_length_c 6.07740744
_cell_angle_alpha 142.47784907
_cell_angle_beta 142.47784907
_cell_angle_gamma 54.10965411
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Tm(MnGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90926200
_cell_length_b 3.90926200
_cell_length_c 10.82473399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.6693989590996616,
0.9192089443883055,
1.7813970875548895
],
[
0.6050868820405465,
2.7576268331649167,
1.7813970873651563
],
[
2.0224337880067913,
2.270938788633307,
-0.12329115577047181
],
[
1.252052053133417,
1.405896988919915... | [
[
3.70155499762922,
0,
-1.2573066323502438
],
[
-0.4270691564890111,
3.6768357775532223,
-1.2573066327297098
],
[
0,
0,
6.077407439999999
]
] | [
69,
25,
25,
32,
32
] | [
1,
1,
1
] | -0.468361 | 0 | 0 | 139 | 139 | [
"Ge",
"Mn",
"Tm"
] |
mp-20610 | mp-20610 | LuGeRh | # generated using pymatgen
data_LuGeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26872500
_cell_length_b 6.77226500
_cell_length_c 7.52504700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuGeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26872500
_cell_length_b 6.77226500
_cell_length_c 7.52504700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2015437499999995,
6.734645067925,
1.4823740586240006
],
[
1.06718125,
0.037619932075,
6.042672941376001
],
[
3.20154375,
3.3485125679250003,
2.2801494413760004
],
[
1.0671812499999997,
3.4237524320749997,
5.244897558623999
],
[
1.06718124999999... | [
[
4.268725,
0,
2.6138402038451426e-16
],
[
-4.146816327613825e-16,
6.772265,
4.146816327613825e-16
],
[
0,
0,
7.525047
]
] | [
71,
71,
71,
71,
32,
32,
32,
32,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.99273 | 0 | 0 | 62 | 62 | [
"Ge",
"Lu",
"Rh"
] |
mp-696114 | mp-696114 | CoCl2 | # generated using pymatgen
data_CoCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52832604
_cell_length_b 3.52832604
_cell_length_c 6.20524500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000083
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52832604
_cell_length_b 3.52832604
_cell_length_c 6.20524500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.910397899824334e-17,
2.0370799975014577,
1.3355672918399997
],
[
1.7641629978677893,
1.0185399987507289,
4.86967770816
]
] | [
[
3.5283259957355773,
0,
9.994934086211226e-16
],
[
-1.7641629978677886,
3.0556199962521875,
2.160476595617128e-16
],
[
0,
0,
6.205245
]
] | [
27,
17,
17
] | [
1,
1,
1
] | -0.981797 | 0.0986 | 0 | 164 | 164 | [
"Co",
"Cl"
] |
mp-569823 | mp-569823 | YInAg2 | # generated using pymatgen
data_YInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96549049
_cell_length_b 4.96549049
_cell_length_c 4.96549049
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02226399
_cell_length_b 7.02226399
_cell_length_c 7.02226399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8668272710600267,
2.0271530038570695,
4.965490490000001
],
[
0,
0,
0
],
[
1.4334136355300133,
1.0135765019285348,
2.4827452450000007
],
[
4.30024090659004,
3.0407295057856043,
7.448235735000001
]
] | [
[
4.30024090659004,
0,
2.4827452450000007
],
[
1.4334136355300136,
4.054306007714139,
2.4827452450000003
],
[
0,
0,
4.96549049
]
] | [
39,
49,
47,
47
] | [
1,
1,
1
] | -0.378228 | 0 | 0 | 225 | 225 | [
"Ag",
"In",
"Y"
] |
mp-9306 | mp-9306 | Sr2ZnN2 | # generated using pymatgen
data_Sr2ZnN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00619451
_cell_length_b 7.00619451
_cell_length_c 7.00619451
_cell_angle_alpha 147.81233158
_cell_angle_beta 147.81233158
_cell_angle_gamma 46.16247976
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sr2ZnN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88439200
_cell_length_b 3.88439200
_cell_length_c 12.89069601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.254271281259488,
2.450428287414261,
0.8070671985271547
],
[
1.167211468072672,
1.2687771975525464,
4.045532915697115
],
[
0,
0,
0
],
[
2.9309652964569035,
3.186005309820026,
3.1524758817169825
],
[
0.4905174528752558,
0.5332001751467812,
... | [
[
3.732158761766943,
0,
-1.0767971981376356
],
[
-0.31067601243478277,
3.7192054849668077,
-1.0767971976380943
],
[
0,
0,
7.006194509999999
]
] | [
38,
38,
30,
7,
7
] | [
1,
1,
1
] | -0.708531 | 0.8524 | 0 | 139 | 139 | [
"Sr",
"Zn",
"N"
] |
mp-758389 | mp-758389 | LiNb(TeO4)3 | # generated using pymatgen
data_LiNb(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.53425500
_cell_length_b 5.00424000
_cell_length_c 5.29165318
_cell_angle_alpha 88.97898129
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_LiNb(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00424000
_cell_length_b 8.53425500
_cell_length_c 5.29165318
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.02101871
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.4549734998545505,
2.6454065003086136,
1.6946470153500004
],
[
-8.394519100378511e-34,
4.7101938270277837e-32,
0.8689578441000011
],
[
2.407826999709101,
5.290813000617226,
3.6062518613100005
],
[
2.4549734998545505,
2.645406500308613,
5.163045055645001... | [
[
5.00424,
0,
3.0642132490825756e-16
],
[
-0.09429300029089921,
5.290813000617226,
3.2402030645424564e-16
],
[
0,
0,
8.534255
]
] | [
3,
41,
52,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.802373 | 1.5985 | 0.012977 | 3 | 3 | [
"Li",
"Nb",
"O",
"Te"
] |
mp-2290 | mp-2290 | NdRh2 | # generated using pymatgen
data_NdRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42741083
_cell_length_b 5.42741083
_cell_length_c 5.42741083
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NdRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67551800
_cell_length_b 7.67551800
_cell_length_c 7.67551800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
1.5667585518515952,
1.107865596496279,
2.7137054150000006
],
[
3.1335171037031895,
2.215731192992556,
5.4274108299999995
],
[
4.700275655554785,
1.661798394744417,
8.141116245
],
[
5.483654931480582,
3.877529587736973,
9.497968952499999
],
[
3.13... | [
[
4.700275655554785,
0,
2.7137054149999993
],
[
1.566758551851594,
4.431462385985112,
2.7137054149999993
],
[
0,
0,
5.4274108299999995
]
] | [
60,
60,
45,
45,
45,
45
] | [
1,
1,
1
] | -0.654775 | 0 | 0 | 227 | 227 | [
"Nd",
"Rh"
] |
mp-23215 | mp-23215 | ThCl4 | # generated using pymatgen
data_ThCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17563299
_cell_length_b 7.17563299
_cell_length_c 7.17563299
_cell_angle_alpha 106.76886379
_cell_angle_beta 106.76886379
_cell_angle_gamma 115.02267876
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ThCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.55971200
_cell_length_b 8.55971200
_cell_length_c 7.70853400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
4.2044388836949915,
1.4320282474307853,
1.5175637230427164
],
[
0,
0,
0
],
[
-0.9711833232461061,
2.1954768748140756,
1.3069574004647166
],
[
-0.2993680610532866,
1.8346229408004868,
4.894773895463202
],
[
0.7100642222617873,
5.32551829635344... | [
[
6.87049941908882,
0,
-2.070252771963298
],
[
-3.7937427224864915,
5.728112989723142,
-2.0702527719392467
],
[
0,
0,
7.17563299
]
] | [
90,
90,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.64545 | 3.7504 | 0.00826 | 141 | 141 | [
"Cl",
"Th"
] |
mp-1016200 | mp-1016200 | MgGeAs2 | # generated using pymatgen
data_MgGeAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07991802
_cell_length_b 7.07991802
_cell_length_c 7.07991802
_cell_angle_alpha 129.67108465
_cell_angle_beta 129.67108465
_cell_angle_gamma 73.93314004
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_MgGeAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02101600
_cell_length_b 6.02101600
_cell_length_c 11.31351799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.7864705485311947,
1.3287919535698216,
0.979715124714334
],
[
0,
0,
0
],
[
2.1233736937455534,
2.657583907139643,
-2.5602438852305918
],
[
0.4602768389599135,
3.9863758607094644,
0.979715124824485
],
[
3.744069197545294,
4.5263118679552115,
... | [
[
5.449567403316834,
0,
-2.560243885340742
],
[
-1.2028200158257267,
5.3151678142792855,
-2.5602438851204408
],
[
0,
0,
7.07991802
]
] | [
12,
12,
32,
32,
33,
33,
33,
33
] | [
1,
1,
1
] | -0.268455 | 1.4095 | 0.012966 | 122 | 122 | [
"Mg",
"Ge",
"As"
] |
mp-1703 | mp-1703 | YbZn | # generated using pymatgen
data_YbZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61177200
_cell_length_b 3.61177200
_cell_length_c 3.61177200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb... | # generated using pymatgen
data_YbZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61177200
_cell_length_b 3.61177200
_cell_length_c 3.61177200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb... | [
[
0,
0,
0
],
[
1.805886,
1.805886,
1.8058860000000003
]
] | [
[
3.611772,
0,
2.2115725095250172e-16
],
[
-2.2115725095250172e-16,
3.611772,
2.2115725095250172e-16
],
[
0,
0,
3.611772
]
] | [
70,
30
] | [
1,
1,
1
] | -0.326507 | 0 | 0 | 221 | 221 | [
"Yb",
"Zn"
] |
mp-504729 | mp-504729 | Cs2PdF6 | # generated using pymatgen
data_Cs2PdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52278004
_cell_length_b 6.52278004
_cell_length_c 6.52278004
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs2PdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.22460400
_cell_length_b 9.22460400
_cell_length_c 9.22460400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8829644059793615,
1.3314569002009038,
3.261390020000002
],
[
5.648893217938078,
3.9943707006027114,
9.784170060000001
],
[
0,
0,
0
],
[
2.682041776873633,
4.195761545499499,
8.40012745443256
],
[
5.933702882128891,
4.1957615454995,
6.52... | [
[
5.6488932179380775,
0,
3.2613900199999994
],
[
1.8829644059793589,
5.325827600803615,
3.2613900200000003
],
[
0,
0,
6.52278004
]
] | [
55,
55,
46,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.417513 | 2.3151 | 0 | 225 | 225 | [
"Cs",
"Pd",
"F"
] |
mp-23068 | mp-23068 | NdBrO | # generated using pymatgen
data_NdBrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01894100
_cell_length_b 4.01894100
_cell_length_c 8.49945600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NdBrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01894100
_cell_length_b 4.01894100
_cell_length_c 8.49945600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
-1.2304458079030157e-16,
2.0094705,
7.29470060928
],
[
2.0094705,
0,
1.2047553907200002
],
[
2.0094705,
0,
5.652325228032001
],
[
-1.2304458079030157e-16,
2.0094705,
2.847130771968
],
[
0,
0,
0
],
[
2.0094705,
2.0094705,
2... | [
[
4.018941,
0,
2.4608916158060315e-16
],
[
-2.4608916158060315e-16,
4.018941,
2.4608916158060315e-16
],
[
0,
0,
8.499456
]
] | [
60,
60,
35,
35,
8,
8
] | [
1,
1,
1
] | -3.283805 | 4.4831 | 0 | 129 | 129 | [
"Nd",
"Br",
"O"
] |
mp-1112635 | mp-1112635 | Cs2KCeF6 | # generated using pymatgen
data_Cs2KCeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62981197
_cell_length_b 6.62981197
_cell_length_c 6.62981197
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs2KCeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.37597000
_cell_length_b 9.37597000
_cell_length_c 9.37597000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.741585588334154,
4.059914104274033,
9.944717955000002
],
[
1.9138618627780508,
1.3533047014246766,
3.314905985
],
[
3.827723725556102,
2.706609402849355,
6.62981197
],
[
0,
0,
0
],
[
1.839144695655196,
1.3004716858810583,
6.62981197
]... | [
[
5.7415855883341544,
0,
3.314905985000001
],
[
1.9138618627780501,
5.413218805698711,
3.3149059850000007
],
[
0,
0,
6.6298119699999996
]
] | [
55,
55,
19,
58,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.476485 | 0.482 | 0.010246 | 225 | 225 | [
"Ce",
"Cs",
"F",
"K"
] |
mp-1095025 | mp-1095025 | Pr(CrB3)2 | # generated using pymatgen
data_Pr(CrB3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54628780
_cell_length_b 5.54628780
_cell_length_c 5.54628780
_cell_angle_alpha 147.41464492
_cell_angle_beta 107.06137423
_cell_angle_gamma 82.18436100
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Pr(CrB3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11195600
_cell_length_b 6.59334000
_cell_length_c 8.35995400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.5727303987960481,
2.5884966075702662,
3.586772988108994
],
[
2.7036154585099386,
0.7966201849661799,
1.842543564442781
],
[
1.4288287769024974,
4.380373030174352,
6.2040431283853055
],
[
1.6519994386201664,
0.7163871441179321,
5.440496758011472
],
... | [
[
2.98698343782034,
0,
0.873040716610098
],
[
1.1454607975920958,
5.1769932151405325,
1.6272581761962064
],
[
0,
0,
5.546287800021783
]
] | [
59,
24,
24,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.516415 | 0 | 0.020391 | 71 | 71 | [
"B",
"Cr",
"Pr"
] |
mp-1077329 | mp-1077329 | GdPPd | # generated using pymatgen
data_GdPPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20508884
_cell_length_b 4.20508884
_cell_length_c 7.58635500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001317
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GdPPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20508884
_cell_length_b 4.20508884
_cell_length_c 7.58635500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.7931775
],
[
0,
0,
0
],
[
2.102544001458074,
1.213904667418566,
1.896588750000001
],
[
-5.256938589221364e-16,
2.427809334837132,
5.689766250000001
],
[
2.102544001458074,
1.213904667418566,
5.689766250000001
],
[
-5.25693... | [
[
4.205088002916148,
0,
1.191204482427715e-15
],
[
-2.102544001458075,
3.6417140022556977,
2.5748742940181283e-16
],
[
0,
0,
7.586355
]
] | [
64,
64,
15,
15,
46,
46
] | [
1,
1,
1
] | -1.257081 | 0 | 0 | 194 | 194 | [
"Gd",
"P",
"Pd"
] |
mp-1105141 | mp-1105141 | TbTl(PSe3)2 | # generated using pymatgen
data_TbTl(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67421000
_cell_length_b 6.88251600
_cell_length_c 10.41438908
_cell_angle_alpha 88.92146360
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_TbTl(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88251600
_cell_length_b 7.67421000
_cell_length_c 10.41438908
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.07853640
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.9490102937702853,
3.81327657795,
5.1474445567965255
],
[
4.932286355173464,
7.65038157795,
5.137395615483139
],
[
5.609206387826711,
1.6827240267000003,
-0.026638339536777914
],
[
1.272090261117039,
5.5198290267,
10.311478511816443
],
[
2.13155... | [
[
6.88129664894375,
0,
-0.12954890772033562
],
[
-4.699098356242305e-16,
7.67421,
4.699098356242305e-16
],
[
0,
0,
10.41438908
]
] | [
65,
65,
81,
81,
15,
15,
15,
15,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.915289 | 1.529 | 0 | 4 | 4 | [
"P",
"Se",
"Tb",
"Tl"
] |
mp-1293627 | mp-1293627 | Co3O4 | # generated using pymatgen
data_Co3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87882555
_cell_length_b 5.93953598
_cell_length_c 5.87694845
_cell_angle_alpha 60.13080010
_cell_angle_beta 59.43785377
_cell_angle_gamma 60.12127288
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Co3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85334940
_cell_length_b 5.85334940
_cell_length_c 14.59671148
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3840440959305744,
0.6024521762339317,
5.85507825432843
],
[
4.237507274053299,
3.012260881169663,
7.30388927726896
],
[
1.700964632933384,
3.012260881169663,
5.869672386240625
],
[
1.7161413414914095,
1.2061044372029237,
2.8836676142957587
],
[
... | [
[
5.073085282239829,
0,
2.86843378205667
],
[
1.7069263562454493,
4.819617409871462,
2.8976220458810595
],
[
0,
0,
5.9201670156926065
]
] | [
27,
27,
27,
27,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.301095 | 1.4652 | 0 | 166 | 166 | [
"Co",
"O"
] |
mp-1104651 | mp-1104651 | Li(Mo3Se4)2 | # generated using pymatgen
data_Li(Mo3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79197726
_cell_length_b 6.79197726
_cell_length_c 6.79197693
_cell_angle_alpha 91.35687059
_cell_angle_beta 91.35687059
_cell_angle_gamma 91.35686941
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Li(Mo3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.71836593
_cell_length_b 9.71836593
_cell_length_c 11.48210237
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0,
0,
0
],
[
2.79109589533917,
1.5722336453761911,
3.6367553648540003
],
[
1.4819871876117359,
3.7388718957296168,
2.7041960130349976
],
[
3.671351837387555,
2.8284077149770273,
1.41753707478828
],
[
3.8342907898458125,
5.215841691823548,
... | [
[
6.79007277514201,
0,
-0.16083161577380348
],
[
-0.16468608995702755,
6.78807533719974,
-0.16083161577380345
],
[
0,
0,
6.79197693
]
] | [
3,
42,
42,
42,
42,
42,
42,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.840865 | 0 | 0.042404 | 148 | 148 | [
"Li",
"Mo",
"Se"
] |
mp-1206068 | mp-1206068 | InBi2S4Br | # generated using pymatgen
data_InBi2S4Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68390516
_cell_length_b 6.68390516
_cell_length_c 9.03175529
_cell_angle_alpha 65.16699831
_cell_angle_beta 65.16699831
_cell_angle_gamma 34.35550192
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_InBi2S4Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.77151400
_cell_length_b 3.94801000
_cell_length_c 9.03175529
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.07729852
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
4.060220548012348,
4.134876106546057,
8.664591920104193
],
[
1.2931380162213986,
1.9853263569219113,
3.1466239129864655
],
[
3.2501384704699343,
0.14507939939650868,
3.446673435373133
],
[
2.1032200937638126,
5.97512306407146,
... | [
[
3.8448359091303588,
0,
0.8966715041343929
],
[
1.5085226551033877,
6.120202463467967,
2.2230765603269464
],
[
0,
0,
8.69146776862932
]
] | [
49,
83,
83,
16,
16,
16,
16,
35
] | [
1,
1,
1
] | -0.792319 | 1.637 | 0.002739 | 12 | 12 | [
"Bi",
"Br",
"In",
"S"
] |
mp-1183516 | mp-1183516 | Ca2AgRh | # generated using pymatgen
data_Ca2AgRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04624774
_cell_length_b 5.04624774
_cell_length_c 5.04624774
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca2AgRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13647199
_cell_length_b 7.13647199
_cell_length_c 7.13647199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.45672624554327,
1.0300610065560656,
2.523123869999999
],
[
4.370178736629811,
3.0901830196681987,
7.569371609999999
],
[
2.9134524910865407,
2.060122013112133,
5.046247739999999
],
[
0,
0,
0
]
] | [
[
4.3701787366298115,
0,
2.5231238699999996
],
[
1.456726245543269,
4.120244026224264,
2.52312387
],
[
0,
0,
5.046247739999999
]
] | [
20,
20,
47,
45
] | [
1,
1,
1
] | -0.325463 | 0 | 0.018408 | 225 | 225 | [
"Ag",
"Ca",
"Rh"
] |
mp-1226502 | mp-1226502 | CeNdS2 | # generated using pymatgen
data_CeNdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07733005
_cell_length_b 7.07733005
_cell_length_c 7.07732995
_cell_angle_alpha 33.34196353
_cell_angle_beta 33.34196353
_cell_angle_gamma 33.34196772
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeNdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06062374
_cell_length_b 4.06062374
_cell_length_c 20.03325755
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.8302495885858727,
1.7318222171259636,
4.703557788423558
],
[
1.4200381075787214,
0.8689175519319123,
2.335371780946082
],
[
4.2404610695930245,
2.5947268823200154,
7.071743795901034
]
] | [
[
3.8899470102643745,
0,
1.1648928134235566
],
[
1.7705521669073714,
3.4636444342519277,
1.1648928134235566
],
[
0,
0,
7.07732995
]
] | [
58,
60,
16,
16
] | [
1,
1,
1
] | -2.290452 | 0 | 0 | 166 | 166 | [
"Ce",
"Nd",
"S"
] |
mp-19113 | mp-19113 | CoTeO3 | # generated using pymatgen
data_CoTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39719742
_cell_length_b 6.06695934
_cell_length_c 7.56783223
_cell_angle_alpha 89.99698511
_cell_angle_beta 89.97892513
_cell_angle_gamma 89.95961348
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39719742
_cell_length_b 6.06695934
_cell_length_c 7.56783223
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.002138173571502107,
3.033478912245516,
0.00015962096328533444
],
[
2.69859852744537,
0,
0.0009926143984133726
],
[
2.69859852744537,
0,
3.7849087293984134
],
[
0.002138173571502107,
3.033478912245516,
3.784075735963285
],
[
2.7669769800626436,
... | [
[
5.39719705489074,
0,
0.001985228796826745
],
[
0.004276347143004214,
6.066957824491032,
0.0003192419265706689
],
[
0,
0,
7.56783223
]
] | [
27,
27,
27,
27,
52,
52,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.405283 | 0 | 0.047211 | 62 | 62 | [
"Co",
"O",
"Te"
] |
mp-1518541 | mp-1518541 | SrEuNbBiO6 | # generated using pymatgen
data_SrEuNbBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89306403
_cell_length_b 6.09199837
_cell_length_c 8.44556752
_cell_angle_alpha 89.87627688
_cell_angle_beta 90.31253940
_cell_angle_gamma 89.92342629
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrEuNbBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89306403
_cell_length_b 6.09199837
_cell_length_c 8.44556752
_cell_angle_alpha 90.12372312
_cell_angle_beta 90.31253940
_cell_angle_gamma 90.07657371
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.820935372574147,
0.31819653238749046,
2.0832357814106284
],
[
0.08025459265444493,
5.773782097352114,
6.343341071008188
],
[
3.0499261496858385,
3.3768882318981626,
2.088687393538809
],
[
2.851263815542754,
2.7150903978414416,
6.337889458880007
],
... | [
[
5.892976355283416,
0,
-0.03214557124113947
],
[
0.00821360994517658,
6.091978629739604,
0.01315490365995528
],
[
0,
0,
8.44556752
]
] | [
38,
38,
63,
63,
41,
41,
83,
83,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.853813 | 0.0454 | 0.051005 | 2 | 2 | [
"Bi",
"Eu",
"Nb",
"O",
"Sr"
] |
mp-1212982 | mp-1212982 | Eu2NiPtO6 | # generated using pymatgen
data_Eu2NiPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78455200
_cell_length_b 5.50338900
_cell_length_c 9.51791455
_cell_angle_alpha 55.07903133
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Eu2NiPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50338900
_cell_length_b 5.78455200
_cell_length_c 9.51791455
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.92096867
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.655027825700884,
0.361777451184,
1.943045903423942
],
[
2.848225020105771,
5.422774548816,
5.9000009352919465
],
[
0.09659859720244486,
3.254053451184,
1.9784775159340013
],
[
5.4066542486042115,
2.530498548816,
5.864569322781887
],
[
2.7516264... | [
[
5.503252845806656,
0,
0.038711761028935275
],
[
-3.5420165456507097e-16,
5.784552,
3.5420165456507097e-16
],
[
0,
0,
7.804335077686953
]
] | [
63,
63,
63,
63,
28,
28,
78,
78,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.151075 | 0 | 0.030994 | 14 | 14 | [
"Eu",
"Ni",
"O",
"Pt"
] |
mp-1018022 | mp-1018022 | NbInS2 | # generated using pymatgen
data_NbInS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33600159
_cell_length_b 3.33600159
_cell_length_c 8.83652800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999177
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbInS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33600159
_cell_length_b 3.33600159
_cell_length_c 8.83652800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
4.418264
],
[
6.166918085457108e-16,
1.9260413361393047,
4.511849410028531e-16
],
[
6.166918085457108e-16,
1.9260413361393047,
2.8409702615840002
],
[
6.166918085457108e-16,
1.9260413361393047,
5.995557738416
]
] | [
[
3.3360020049866,
0,
9.450124560941616e-16
],
[
-1.6680010024932987,
2.8890620042089568,
2.0427118345719901e-16
],
[
0,
0,
8.836528
]
] | [
41,
49,
16,
16
] | [
1,
1,
1
] | -1.116516 | 0 | 0 | 187 | 187 | [
"Nb",
"In",
"S"
] |
mp-22262 | mp-22262 | CoMoP | # generated using pymatgen
data_CoMoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74476800
_cell_length_b 5.80852200
_cell_length_c 6.73931400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CoMoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74476800
_cell_length_b 5.80852200
_cell_length_c 6.73931400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
2.8085759999999995,
3.719179211034,
2.916869449596
],
[
0.9361919999999997,
4.993603788966,
6.286526449596001
],
[
2.808576,
0.814918211034,
0.4527875504040002
],
[
0.9361919999999999,
2.089342788966,
3.822444550404
],
[
0.9361919999999999,
2... | [
[
3.744768,
0,
2.293009072374718e-16
],
[
-3.5566939375384913e-16,
5.808522,
3.5566939375384913e-16
],
[
0,
0,
6.739314
]
] | [
27,
27,
27,
27,
42,
42,
42,
42,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.615223 | 0 | 0 | 62 | 62 | [
"Co",
"Mo",
"P"
] |
mp-11755 | mp-11755 | Lu6Sb2Mo | # generated using pymatgen
data_Lu6Sb2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99031545
_cell_length_b 7.99031545
_cell_length_c 4.30044900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999541
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Lu6Sb2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99031545
_cell_length_b 7.99031545
_cell_length_c 4.30044900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.1502245000000006,
2.7054544903847177,
1.5619945893230887
],
[
2.150224500000002,
4.214361993621085,
-2.4331632565564116
],
[
2.1502245000000024,
6.919816484005798,
0.8711675585318798
],
[
2.649299279298334e-15,
6.919816484005799,
-2.083307511313771
]... | [
[
4.300449,
0,
2.633265551373218e-16
],
[
2.6492992792983343e-15,
6.9198164840058,
-3.9951582793507217
],
[
0,
0,
7.990315450000001
]
] | [
71,
71,
71,
71,
71,
71,
51,
51,
42
] | [
1,
1,
1
] | -0.530814 | 0 | 0 | 189 | 189 | [
"Lu",
"Sb",
"Mo"
] |
mp-1114296 | mp-1114296 | Cs2TaAuF6 | # generated using pymatgen
data_Cs2TaAuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38355244
_cell_length_b 7.38355244
_cell_length_c 7.38355244
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2TaAuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.44192000
_cell_length_b 10.44192000
_cell_length_c 10.44192000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.131447994404859,
1.5071613305901441,
3.691776220000002
],
[
6.394343983214576,
4.521483991770427,
11.07532866
],
[
0,
0,
0
],
[
4.262895988809717,
3.014322661180285,
7.383552440000001
],
[
2.917253189398086,
4.917348958217911,
5.0528307... | [
[
6.3943439832145765,
0,
3.691776220000001
],
[
2.131447994404857,
6.0286453223605685,
3.6917762200000004
],
[
0,
0,
7.383552439999999
]
] | [
55,
55,
73,
79,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.807799 | 1.1917 | 0.045889 | 225 | 225 | [
"Au",
"Cs",
"F",
"Ta"
] |
mp-976426 | mp-976426 | LiLuHg2 | # generated using pymatgen
data_LiLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96557959
_cell_length_b 4.96557959
_cell_length_c 4.96557959
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiLuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02239000
_cell_length_b 7.02239000
_cell_length_c 7.02239000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8668787129690108,
2.0271893787797497,
4.965579589999999
],
[
0,
0,
0
],
[
4.300318069453516,
3.0407840681696245,
7.448369384999998
],
[
1.4334393564845056,
1.0135946893898757,
2.4827897950000004
]
] | [
[
4.300318069453517,
0,
2.482789794999999
],
[
1.4334393564845047,
4.054378757559499,
2.482789794999999
],
[
0,
0,
4.965579589999999
]
] | [
3,
71,
80,
80
] | [
1,
1,
1
] | -0.411644 | 0 | 0.011159 | 225 | 225 | [
"Li",
"Lu",
"Hg"
] |
mp-1225364 | mp-1225364 | Eu2Ga7Ag | # generated using pymatgen
data_Eu2Ga7Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36279900
_cell_length_b 4.36279900
_cell_length_c 10.94046100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Eu2Ga7Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36279900
_cell_length_b 4.36279900
_cell_length_c 10.94046100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.1813995,
0,
8.193705099496002
],
[
-1.3357219576683183e-16,
2.1813995,
2.7467559005040005
],
[
-1.3357219576683183e-16,
2.1813995,
9.457284583152001
],
[
2.1813995,
0,
3.9829623507380005
],
[
2.1813995,
0,
1.4831764168480002
],
[
... | [
[
4.362799,
0,
2.6714439153366367e-16
],
[
-2.6714439153366367e-16,
4.362799,
2.6714439153366367e-16
],
[
0,
0,
10.940461
]
] | [
63,
63,
31,
31,
31,
31,
31,
31,
31,
47
] | [
1,
1,
1
] | -0.427319 | 0 | 0.001664 | 115 | 115 | [
"Ag",
"Eu",
"Ga"
] |
mp-1079727 | mp-1079727 | LuSnPt | # generated using pymatgen
data_LuSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49017900
_cell_length_b 7.49017900
_cell_length_c 3.93167200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999113
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49017900
_cell_length_b 7.49017900
_cell_length_c 3.93167200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9658360000000015,
3.8831117905862484,
-2.241916038353245
],
[
1.9658360000000008,
2.603574082086343,
1.503173659732881
],
[
1.9658360000000024,
6.486685872672592,
0.7387403702036347
],
[
3.9316720000000003,
1.6996349456717998,
-0.9812848688221711
],
... | [
[
3.931672,
0,
2.407454765048636e-16
],
[
2.4834722491885928e-15,
6.486685872672592,
-3.745090504208365
],
[
0,
0,
7.490179
]
] | [
71,
71,
71,
50,
50,
50,
78,
78,
78
] | [
1,
1,
1
] | -1.073292 | 0 | 0 | 189 | 189 | [
"Lu",
"Pt",
"Sn"
] |
mp-1221623 | mp-1221623 | MnSi2Pd3 | # generated using pymatgen
data_MnSi2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50508400
_cell_length_b 6.53176300
_cell_length_c 11.30639819
_cell_angle_alpha 89.65397013
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_MnSi2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53176300
_cell_length_b 3.50508400
_cell_length_c 11.30639819
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.34602987
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7525419999999996,
5.870432507644006,
5.7797827539114595
],
[
1.7525419999999998,
2.6345581543354157,
11.26176366770345
],
[
1.7525419999999998,
5.189064481265222,
9.068407408784799
],
[
-6.043211841279544e-19,
0.009869313904200075,
7.597348643247385
... | [
[
3.505084,
0,
2.1462449506713007e-16
],
[
-3.9994783860222004e-16,
6.531643881006006,
0.03944743192910715
],
[
0,
0,
11.30639819
]
] | [
25,
25,
25,
14,
14,
14,
14,
14,
14,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.518228 | 0 | 0.064348 | 6 | 6 | [
"Mn",
"Pd",
"Si"
] |
mp-1208181 | mp-1208181 | Tl2PtI6 | # generated using pymatgen
data_Tl2PtI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80818500
_cell_length_b 7.80818500
_cell_length_c 11.60767300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Tl2PtI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80818500
_cell_length_b 7.80818500
_cell_length_c 11.60767300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.390567191850094e-16,
3.9040925,
2.9019182500000005
],
[
-2.390567191850094e-16,
3.9040925,
8.70575475
],
[
3.9040925,
0,
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],
[
3.9040925,
0,
8.70575475
],
[
0,
0,
0
],
[
3.9040924999999995,
3.9040925,
... | [
[
7.808185,
0,
4.781134383700188e-16
],
[
-4.781134383700188e-16,
7.808185,
4.781134383700188e-16
],
[
0,
0,
11.607673
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] | [
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81,
81,
81,
78,
78,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.638561 | 0.5825 | 0 | 128 | 128 | [
"I",
"Pt",
"Tl"
] |
mp-1220483 | mp-1220483 | Nb6TlS8 | # generated using pymatgen
data_Nb6TlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74993577
_cell_length_b 9.74993577
_cell_length_c 3.39564400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999846
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Nb6TlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74993577
_cell_length_b 9.74993577
_cell_length_c 3.39564400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.1043281694670208e-15,
8.108325626590128,
-2.9059198245057947
],
[
2.644059169202124e-15,
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],
[
7.170637881186548e-16,
1.8729291401239043,
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],
[
1.6978220000000022,
5.989710374723118,
-1.95577390187... | [
[
3.395644,
0,
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],
[
3.2327255633938997e-15,
8.443692193116322,
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],
[
0,
0,
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] | [
41,
41,
41,
41,
41,
41,
81,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.300296 | 0 | 0 | 174 | 174 | [
"Nb",
"S",
"Tl"
] |
mp-22331 | mp-22331 | NdTiGe | # generated using pymatgen
data_NdTiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13658800
_cell_length_b 4.13658800
_cell_length_c 7.92393300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdTiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13658800
_cell_length_b 4.13658800
_cell_length_c 7.92393300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.2664648133978377e-16,
2.068294,
2.747243418966
],
[
2.068294,
0,
5.176689581034
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[
2.068294,
2.068294,
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],
[
0,
0,
0
],
[
2.068294,
0,
1.795341347676
],
[
-1.2664648133978377e-16,
2.068294,
6.128... | [
[
4.136588,
0,
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],
[
-2.5329296267956755e-16,
4.136588,
2.5329296267956755e-16
],
[
0,
0,
7.923933
]
] | [
60,
60,
22,
22,
32,
32
] | [
1,
1,
1
] | -0.628882 | 0 | 0 | 129 | 129 | [
"Ge",
"Nd",
"Ti"
] |
mp-10240 | mp-10240 | ScNiP | # generated using pymatgen
data_ScNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73735400
_cell_length_b 6.33682400
_cell_length_c 7.09441100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | # generated using pymatgen
data_ScNiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73735400
_cell_length_b 6.33682400
_cell_length_c 7.09441100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | [
[
2.8030155,
3.033995289312,
5.786669842726001
],
[
0.9343385,
0.134416710688,
2.239464342726
],
[
2.8030154999999994,
6.202407289312,
4.8549466572740005
],
[
0.9343384999999997,
3.302828710688,
1.3077411572740003
],
[
0.9343384999999997,
4.056... | [
[
3.737354,
0,
2.2884693066902783e-16
],
[
-3.8801856141800637e-16,
6.336824,
3.8801856141800637e-16
],
[
0,
0,
7.094411
]
] | [
21,
21,
21,
21,
28,
28,
28,
28,
15,
15,
15,
15
] | [
1,
1,
1
] | -1.203479 | 0 | 0 | 62 | 62 | [
"Sc",
"Ni",
"P"
] |
mp-1079677 | mp-1079677 | GdSi2Ni | # generated using pymatgen
data_GdSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24808178
_cell_length_b 8.24808178
_cell_length_c 3.96139000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 152.04336246
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GdSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98472600
_cell_length_b 16.00766600
_cell_length_c 3.96139000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.9903475000000002,
0.4108165557239925,
1.650355434821552
],
[
2.9710425000000007,
3.4559105603860263,
5.635197012255294
],
[
0.9903475000000004,
1.7797500899133072,
7.149712426599343
],
[
2.9710425000000007,
2.086977026196713,
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],
... | [
[
3.96139,
0,
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],
[
6.218171455535343e-16,
3.8667271161100194,
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],
[
0,
0,
8.24808178
]
] | [
64,
64,
14,
14,
14,
14,
28,
28
] | [
1,
1,
1
] | -0.821496 | 0 | 0 | 63 | 63 | [
"Gd",
"Ni",
"Si"
] |
mp-22305 | mp-22305 | NaCu3(RuO3)4 | # generated using pymatgen
data_NaCu3(RuO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44701354
_cell_length_b 6.44701354
_cell_length_c 6.44701354
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | # generated using pymatgen
data_NaCu3(RuO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44437001
_cell_length_b 7.44437001
_cell_length_c 7.44437001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
4.558726993419763,
2.631982256229444,
-7.146021552273396e-10
],
[
1.5195756644732543,
2.631982256229444,
-2.149004513571534
],
[
3.039151328946509,
1.99889118152656e-16,
2.1490045128569326
],
[
1.5195756644732543,
2.6319822562294... | [
[
6.078302657893018,
0,
-2.149004514286136
],
[
-3.0391513289465095,
5.263964512458888,
-2.149004512856933
],
[
0,
0,
6.447013540000001
]
] | [
11,
29,
29,
29,
44,
44,
44,
44,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.328615 | 0 | 0.013058 | 204 | 204 | [
"Cu",
"Na",
"O",
"Ru"
] |
mp-756564 | mp-756564 | BaYCl5 | # generated using pymatgen
data_BaYCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.07486517
_cell_length_b 10.07486517
_cell_length_c 6.88046573
_cell_angle_alpha 89.12013232
_cell_angle_beta 89.12013232
_cell_angle_gamma 147.84525225
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_BaYCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58017000
_cell_length_b 19.36164599
_cell_length_c 6.88046573
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.17866608
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.8764549421049717,
5.152409996614738,
7.732742235094934
],
[
1.8520649574803498,
1.7174699988715791,
3.993124863342065
],
[
5.22812033217718,
5.152409996614738,
3.042837304493352
],
[
0.5003995674081433,
1.7174699988715791,
8.683029793943646
],
[
... | [
[
5.361921685742986,
0,
1.545345603832265
],
[
0.3665982138423358,
6.869879995486317,
0.10565632460473107
],
[
0,
0,
10.074865170000002
]
] | [
56,
56,
39,
39,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.803706 | 4.0239 | 0.036418 | 15 | 15 | [
"Ba",
"Cl",
"Y"
] |
mp-997182 | mp-997182 | C | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46803165
_cell_length_b 2.46803165
_cell_length_c 14.99756200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999050
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46803165
_cell_length_b 2.46803165
_cell_length_c 14.99756200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_... | [
[
0,
0,
11.2481715
],
[
0,
0,
3.749390500000002
],
[
1.2340160021953508,
0.7124593346467437,
11.248171500000002
],
[
4.4172310286495875e-16,
1.424918669293487,
3.7493905000000023
]
] | [
[
2.468032004390702,
0,
6.991365660757815e-16
],
[
-1.2340160021953512,
2.137378003940231,
1.5112335301834304e-16
],
[
0,
0,
14.997562
]
] | [
6,
6,
6,
6
] | [
1,
1,
1
] | 0.007756 | 0.0001 | 0.007756 | 194 | 194 | [
"C"
] |
mp-1187863 | mp-1187863 | YTmZn2 | # generated using pymatgen
data_YTmZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03361316
_cell_length_b 5.03361316
_cell_length_c 5.03361316
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YTmZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11860400
_cell_length_b 7.11860400
_cell_length_c 7.11860400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.906157912922442,
2.0549639674264033,
5.033613159999999
],
[
4.359236869383663,
3.082445951139605,
7.550419740000001
],
[
1.4530789564612212,
1.0274819837132012,
2.51680658
]
] | [
[
4.359236869383664,
0,
2.5168065800000003
],
[
1.4530789564612214,
4.109927934852807,
2.5168065800000003
],
[
0,
0,
5.03361316
]
] | [
39,
69,
30,
30
] | [
1,
1,
1
] | -0.360159 | 0 | 0.002023 | 225 | 225 | [
"Tm",
"Y",
"Zn"
] |
mp-1220345 | mp-1220345 | NbSnSb | # generated using pymatgen
data_NbSnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85027205
_cell_length_b 5.71221329
_cell_length_c 5.54599763
_cell_angle_alpha 74.94147132
_cell_angle_beta 53.63270851
_cell_angle_gamma 51.42582017
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbSnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73781200
_cell_length_b 9.49262200
_cell_length_c 9.87902000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2523654953240047,
1.0993035390151722,
1.415225288717001
],
[
-0.9540100246171905,
3.2979106170455177,
1.415225288547506
],
[
-0.1425328848122158,
2.8737641339802162,
4.271331933580203
],
[
2.440888355519028,
1.5234500220804745,
4.271331933684303
],
... | [
[
5.355553255294603,
0,
-1.4408813561982505
],
[
-3.057197784587788,
4.3972141560606905,
-1.4408813565372416
],
[
0,
0,
5.71221329
]
] | [
41,
41,
50,
50,
51,
51
] | [
1,
1,
1
] | -0.252894 | 0 | 0.015905 | 69 | 69 | [
"Nb",
"Sb",
"Sn"
] |
mp-1221641 | mp-1221641 | MnFe3Si8 | # generated using pymatgen
data_MnFe3Si8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71339600
_cell_length_b 2.71339600
_cell_length_c 20.59051600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_MnFe3Si8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71339600
_cell_length_b 2.71339600
_cell_length_c 20.59051600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
0,
0,
5.159942128568
],
[
0,
0,
10.295258
],
[
0,
0,
15.430573871432001
],
[
1.356698,
1.356698,
3.741585024424
],
[
1.356698,
1.356698,
8.890758313124
],
[
1.356698,
1.356698,
14.039169752732
... | [
[
2.713396,
0,
1.6614758631096158e-16
],
[
-1.6614758631096158e-16,
2.713396,
1.6614758631096158e-16
],
[
0,
0,
20.590516
]
] | [
25,
26,
26,
26,
14,
14,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.319053 | 0 | 0.066522 | 123 | 123 | [
"Fe",
"Mn",
"Si"
] |
mp-1102084 | mp-1102084 | DyTc2 | # generated using pymatgen
data_DyTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36478293
_cell_length_b 5.36478293
_cell_length_c 8.91487800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998687
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36478293
_cell_length_b 5.36478293
_cell_length_c 8.91487800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.682391997347072,
1.5486793319394496,
5.025272154210001
],
[
1.1337307391151894e-15,
3.0973586638788997,
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],
[
1.1337307391151894e-15,
3.0973586638788997,
0.5678331542100002
],
[
2.682391997347072,
1.5486793319394496,
8.34704484579
],... | [
[
5.364783994694142,
0,
1.5197196199709489e-15
],
[
-2.6823919973470693,
4.646037995818349,
3.2849821216724293e-16
],
[
0,
0,
8.914878
]
] | [
66,
66,
66,
66,
43,
43,
43,
43,
43,
43,
43,
43
] | [
1,
1,
1
] | -0.182463 | 0 | 0 | 194 | 194 | [
"Dy",
"Tc"
] |
mp-1189125 | mp-1189125 | Lu2Se3 | # generated using pymatgen
data_Lu2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.31727015
_cell_length_b 12.71351055
_cell_length_c 6.95325029
_cell_angle_alpha 79.36416789
_cell_angle_beta 69.76176787
_cell_angle_gamma 30.87406424
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Lu2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07853400
_cell_length_b 11.31936600
_cell_length_c 24.10955600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.16291362849730448,
5.290002597024559,
6.990765034755492
],
[
-0.5572110132756194,
4.225851029835246,
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],
[
3.9329355912470496,
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8.229499367033874
],
[
0.36006232088646173,
0.5320757835946575,
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],
... | [
[
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],
[
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],
[
0,
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12.71351055
]
] | [
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34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -2.132288 | 1.3601 | 0 | 70 | 70 | [
"Lu",
"Se"
] |
mp-865978 | mp-865978 | YbPrHg2 | # generated using pymatgen
data_YbPrHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38979416
_cell_length_b 5.38979416
_cell_length_c 5.38979416
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbPrHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62232000
_cell_length_b 7.62232000
_cell_length_c 7.62232000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.1117991091526735,
2.2003742517721117,
5.389794160000001
],
[
4.667698663729009,
3.300561377658168,
8.084691240000001
],
[
1.555899554576338,
1.1001871258860552,
2.6948970800000014
]
] | [
[
4.667698663729009,
0,
2.6948970800000005
],
[
1.5558995545763363,
4.400748503544224,
2.69489708
],
[
0,
0,
5.38979416
]
] | [
70,
59,
80,
80
] | [
1,
1,
1
] | -0.575226 | 0 | 0 | 225 | 225 | [
"Yb",
"Pr",
"Hg"
] |
mp-141 | mp-141 | Yb | # generated using pymatgen
data_Yb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85287197
_cell_length_b 3.85287197
_cell_length_c 6.37704700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999956
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb
... | # generated using pymatgen
data_Yb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85287197
_cell_length_b 3.85287197
_cell_length_c 6.37704700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb
... | [
[
1.92643599781195,
1.1122283320506705,
4.782785250000001
],
[
-7.347038531492546e-16,
2.224456664101342,
1.5942617499999998
]
] | [
[
3.8528719956239,
0,
1.09142980794329e-15
],
[
-1.9264359978119512,
3.3366849961520124,
2.3592036627925286e-16
],
[
0,
0,
6.377047
]
] | [
70,
70
] | [
1,
1,
1
] | 0.013678 | 0 | 0.013678 | 194 | 194 | [
"Yb"
] |
mp-21499 | mp-21499 | YbInPd | # generated using pymatgen
data_YbInPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62356752
_cell_length_b 7.62356752
_cell_length_c 4.01955700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999583
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbInPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62356752
_cell_length_b 7.62356752
_cell_length_c 4.01955700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0097784999999995,
1.953758271491019e-16,
4.514569955398718
],
[
2.0097785000000004,
2.6924709843854315,
1.5544985863419902
],
[
2.0097785000000012,
3.9097324328229806,
-2.2572852622505755
],
[
2.646467913671936e-32,
5.779821391968138e-17,
1.96948005668... | [
[
4.019557,
0,
2.4612688070201687e-16
],
[
2.527698934707267e-15,
6.602203417208412,
-3.811784240509866
],
[
0,
0,
7.623567519999999
]
] | [
70,
70,
70,
49,
49,
49,
46,
46,
46
] | [
1,
1,
1
] | -0.77378 | 0 | 0 | 189 | 189 | [
"In",
"Pd",
"Yb"
] |
mp-1209918 | mp-1209918 | NaY(Pd3O4)2 | # generated using pymatgen
data_NaY(Pd3O4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83178800
_cell_length_b 5.83178800
_cell_length_c 5.83178800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_NaY(Pd3O4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83178800
_cell_length_b 5.83178800
_cell_length_c 5.83178800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.915894,
2.915894,
2.9158940000000007
],
[
0,
0,
0
],
[
1.4684558819760003,
0,
2.915894
],
[
4.363332118024,
0,
2.9158940000000007
],
[
2.915894,
1.4684558819760003,
2.684640024651992e-16
],
[
2.9158939999999998,
4.3633321180... | [
[
5.831788,
0,
3.5709402537529724e-16
],
[
-3.5709402537529724e-16,
5.831788,
3.5709402537529724e-16
],
[
0,
0,
5.831788
]
] | [
11,
39,
46,
46,
46,
46,
46,
46,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.436276 | 0.0605 | 0 | 200 | 200 | [
"Na",
"O",
"Pd",
"Y"
] |
mp-1103746 | mp-1103746 | GdGePt | # generated using pymatgen
data_GdGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42656800
_cell_length_b 7.14871200
_cell_length_c 7.65022700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GdGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42656800
_cell_length_b 7.14871200
_cell_length_c 7.65022700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3199259999999997,
3.5599584940319997,
1.5575709167460003
],
[
3.3199259999999993,
7.134314494032,
2.267542583254001
],
[
1.1066419999999997,
3.5887535059679996,
6.092656083254001
],
[
1.106642,
0.014397505968000001,
5.382684416746
],
[
3.319925... | [
[
4.426568,
0,
2.71049116620405e-16
],
[
-4.377323634413137e-16,
7.148712,
4.377323634413137e-16
],
[
0,
0,
7.650227
]
] | [
64,
64,
64,
64,
32,
32,
32,
32,
78,
78,
78,
78
] | [
1,
1,
1
] | -1.108971 | 0 | 0 | 62 | 62 | [
"Gd",
"Ge",
"Pt"
] |
mp-1228631 | mp-1228631 | B4OsW | # generated using pymatgen
data_B4OsW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92974647
_cell_length_b 2.92974647
_cell_length_c 7.56092700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001051
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_B4OsW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92974647
_cell_length_b 2.92974647
_cell_length_c 7.56092700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4648730022922916,
0.8457450013405425,
2.2109360296320015
],
[
0,
0,
1.5224304560850006
],
[
0,
0,
6.0384965439150005
],
[
1.4648730022922916,
0.8457450013405425,
5.349990970368001
],
[
1.4648730022922916,
0.8457450013405425,
7.560927000... | [
[
2.9297460045845822,
0,
8.299294974601354e-16
],
[
-1.4648730022922907,
2.5372350040216283,
1.7939523183993786e-16
],
[
0,
0,
7.560927
]
] | [
5,
5,
5,
5,
76,
74
] | [
1,
1,
1
] | -0.289115 | 0 | 0 | 187 | 187 | [
"B",
"Os",
"W"
] |
mp-754667 | mp-754667 | BaSr2I6 | # generated using pymatgen
data_BaSr2I6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97438341
_cell_length_b 8.97438341
_cell_length_c 11.92077604
_cell_angle_alpha 87.08173987
_cell_angle_beta 87.08173987
_cell_angle_gamma 119.30135244
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_BaSr2I6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.06898600
_cell_length_b 15.48908400
_cell_length_c 11.92077604
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.78295375
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
8.540083912351996,
0.24621225054994836,
8.483685143303202
],
[
-3.998423652453656,
7.550249134818892,
2.5232971233032013
],
[
4.122600403132057,
2.30507058735261,
4.891855062973584
],
[
4.570108355180881,
3.073287113498543,
0.15473918363281966
],
[
... | [
[
8.962745272772734,
0,
-0.4568968866967981
],
[
-4.421085012874395,
7.79646138536884,
-0.4568968866967981
],
[
0,
0,
11.92077604
]
] | [
56,
56,
38,
38,
38,
38,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.961959 | 3.6174 | 0.029727 | 15 | 15 | [
"Ba",
"I",
"Sr"
] |
mp-643101 | mp-643101 | Rb2H6Pt | # generated using pymatgen
data_Rb2H6Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07980451
_cell_length_b 6.07980451
_cell_length_c 6.07980451
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Rb2H6Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.59814199
_cell_length_b 8.59814199
_cell_length_c 8.59814199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7550883852344004,
1.2410348987809914,
3.039902255
],
[
5.265265155703202,
3.723104696342975,
9.119706764999998
],
[
5.667812227740563,
4.007748460727383,
6.079804510000001
],
[
2.4313590418329203,
4.007748460727383,
7.948371628103399
],
[
2.431... | [
[
5.265265155703202,
0,
3.039902254999999
],
[
1.7550883852344001,
4.964139595123967,
3.0399022550000003
],
[
0,
0,
6.079804509999999
]
] | [
37,
37,
1,
1,
1,
1,
1,
1,
78
] | [
1,
1,
1
] | -0.381177 | 4.2083 | 0 | 225 | 225 | [
"Rb",
"H",
"Pt"
] |
mp-18862 | mp-18862 | La2CoIrO6 | # generated using pymatgen
data_La2CoIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66410300
_cell_length_b 5.51452100
_cell_length_c 9.60351992
_cell_angle_alpha 54.82511388
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2CoIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51452100
_cell_length_b 5.66410300
_cell_length_c 9.60351992
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.17488612
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.445365907989421,
5.342523552175,
1.9551028923200844
],
[
2.688112510902029,
3.153630947825,
5.886318024783485
],
[
0.0691408861853631,
0.321579447825,
5.8822932805608685
],
[
2.8263942832727564,
2.5104720521750004,
1.9510781480974673
],
[
-1.73... | [
[
5.5145067941747845,
0,
-0.012517046022924961
],
[
-3.4682628044954603e-16,
5.664103,
3.4682628044954603e-16
],
[
0,
0,
7.849913218903877
]
] | [
57,
57,
57,
57,
27,
27,
77,
77,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.533183 | 0.623 | 0.048897 | 14 | 14 | [
"Co",
"Ir",
"La",
"O"
] |
mp-1219928 | mp-1219928 | PdPtAu | # generated using pymatgen
data_PdPtAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84951802
_cell_length_b 2.84951802
_cell_length_c 6.98638100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000047
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PdPtAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84951802
_cell_length_b 2.84951802
_cell_length_c 6.98638100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
4.625298609145
],
[
1.9060612348624442e-16,
1.6451699998034781,
2.3817201603289995
],
[
1.424758999878445,
0.822584999901739,
6.965743230526
]
] | [
[
2.84951799975689,
0,
8.072027533585362e-16
],
[
-1.4247589998784447,
2.467754999705217,
1.7448265611528518e-16
],
[
0,
0,
6.986381
]
] | [
46,
78,
79
] | [
1,
1,
1
] | 0.000063 | 0 | 0.055055 | 156 | 156 | [
"Au",
"Pd",
"Pt"
] |
mp-1100191 | mp-1100191 | YMg5 | # generated using pymatgen
data_YMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46727733
_cell_length_b 6.46727733
_cell_length_c 7.59564049
_cell_angle_alpha 76.11792398
_cell_angle_beta 76.11792398
_cell_angle_gamma 29.04209710
_symmetry_Int_Tables_number 1
_chemical_formula_structural YM... | # generated using pymatgen
data_YMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.52136799
_cell_length_b 3.24315400
_cell_length_c 7.59564049
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.34982048
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-6.073518204464118e-16,
4.699897524912707,
0.873964251070067
],
[
7.09117223795104e-16,
0.04982082071148509,
7.566822801098301
],
[
1.621576999046331,
1.9927600442070992,
2.0333632324748496
],
[
5.720038336065361e-16,
0.715869513671021,
4.504376894300088... | [
[
3.2431539980926627,
0,
1.9858590814530603e-16
],
[
-1.6215769990463327,
6.065354359810741,
-1.5516573685001003
],
[
0,
0,
7.59564049
]
] | [
39,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | 0.007965 | 0 | 0.076605 | 8 | 8 | [
"Mg",
"Y"
] |
mp-1207126 | mp-1207126 | Sr2GaOsO6 | # generated using pymatgen
data_Sr2GaOsO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60283129
_cell_length_b 5.60283129
_cell_length_c 5.60283129
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sr2GaOsO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92360000
_cell_length_b 7.92360000
_cell_length_c 7.92360000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.6173980767527787,
1.1436731479499698,
2.8014156449999996
],
[
4.852194230258337,
3.4310194438499106,
8.404246934999998
],
[
3.234796153505558,
2.2873462958999404,
5.602831289999999
],
[
0,
0,
0
],
[
4.855040850873422,
3.433032308590303,
... | [
[
4.852194230258338,
0,
2.8014156449999996
],
[
1.617398076752778,
4.574692591799881,
2.801415644999999
],
[
0,
0,
5.602831289999999
]
] | [
38,
38,
31,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.413422 | 0.2073 | 0.032543 | 225 | 225 | [
"Ga",
"O",
"Os",
"Sr"
] |
mp-560502 | mp-560502 | Ba2CuTeO6 | # generated using pymatgen
data_Ba2CuTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93820649
_cell_length_b 5.93820649
_cell_length_c 10.29171961
_cell_angle_alpha 74.08059767
_cell_angle_beta 74.08059767
_cell_angle_gamma 58.68273089
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba2CuTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.35285600
_cell_length_b 5.81958400
_cell_length_c 10.29171961
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.33965321
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.1488643617895703e-15,
1.2548800974973013,
3.447546234131639
],
[
2.909794909455506,
3.658631388196956,
5.215411481863139
],
[
2.9097919996635064,
2.1053589500772683,
0.7993725305284102
],
[
1.0564767365036907e-15,
2.808147622110416,
7.8635868142266325
... | [
[
5.819583999327011,
0,
3.5634674585724884e-16
],
[
-2.9097919996635038,
4.913506572187686,
-1.6287602652449562
],
[
0,
0,
10.29171961
]
] | [
56,
56,
56,
56,
29,
29,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.177573 | 0.0117 | 0 | 12 | 12 | [
"Ba",
"Cu",
"O",
"Te"
] |
mp-1103028 | mp-1103028 | Ba2Pd | # generated using pymatgen
data_Ba2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30218400
_cell_length_b 8.44850600
_cell_length_c 10.49173000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ba2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30218400
_cell_length_b 8.44850600
_cell_length_c 10.49173000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3255459999999994,
7.269812685410001,
4.3404287010000004
],
[
1.3255459999999997,
3.04555968541,
0.9054362990000003
],
[
3.9766379999999995,
1.17869331459,
6.151301299000001
],
[
3.976637999999999,
5.402946314589999,
9.586293701
],
[
1.325545999... | [
[
5.302184,
0,
3.2466513320451545e-16
],
[
-5.173217915238604e-16,
8.448506,
5.173217915238604e-16
],
[
0,
0,
10.49173
]
] | [
56,
56,
56,
56,
56,
56,
56,
56,
46,
46,
46,
46
] | [
1,
1,
1
] | -0.36416 | 0 | 0 | 62 | 62 | [
"Ba",
"Pd"
] |
mp-1078957 | mp-1078957 | Ta3Be2 | # generated using pymatgen
data_Ta3Be2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50530700
_cell_length_b 6.50530700
_cell_length_c 3.36533200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ta3Be2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50530700
_cell_length_b 6.50530700
_cell_length_c 3.36533200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.365332,
3.2526535,
3.2526535000000005
],
[
0,
0,
0
],
[
1.6826659999999998,
4.418066238436,
1.1654127384360005
],
[
1.6826659999999996,
2.0872407615640003,
5.339894261564001
],
[
1.6826659999999998,
1.165412738436,
2.0872407615640007
... | [
[
3.365332,
0,
2.0606715309340803e-16
],
[
-3.9833516975104355e-16,
6.505307,
3.9833516975104355e-16
],
[
0,
0,
6.505307
]
] | [
73,
73,
73,
73,
73,
73,
4,
4,
4,
4
] | [
1,
1,
1
] | -0.178764 | 0 | 0 | 127 | 127 | [
"Be",
"Ta"
] |
mp-545646 | mp-545646 | Na2CoGeO4 | # generated using pymatgen
data_Na2CoGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68554900
_cell_length_b 5.40709000
_cell_length_c 9.02874413
_cell_angle_alpha 53.18997241
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Na2CoGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40709000
_cell_length_b 5.68554900
_cell_length_c 9.02874413
_cell_angle_alpha 90.00000000
_cell_angle_beta 126.81002759
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.3451189941645145,
1.8358978853940005,
1.8121611986206194
],
[
2.66484628369849,
1.011658161315,
0.05100607925440786
],
[
5.368391108012207,
4.673890838685001,
3.6643576599843297
],
[
2.6415741698507973,
3.8496511146060004,
5.427462088474585
],
[
... | [
[
5.407089648627434,
0,
-0.001949309124042712
],
[
-3.481394692122717e-16,
5.685549,
3.481394692122717e-16
],
[
0,
0,
7.228652470583888
]
] | [
11,
11,
11,
11,
27,
27,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.941322 | 1.953 | 0 | 7 | 7 | [
"Co",
"Ge",
"Na",
"O"
] |
mp-1094630 | mp-1094630 | MgGa2 | # generated using pymatgen
data_MgGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28081331
_cell_length_b 5.28081331
_cell_length_c 5.16861500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 126.06742802
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78934000
_cell_length_b 9.41329800
_cell_length_c 5.16861500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | [
[
3.448718235850396,
3.8764612500000006,
-1.7546543405141415
],
[
0.8198936227384533,
1.2921537500000002,
-0.4171491567339217
],
[
0.6147740170976845,
3.87646125,
3.15944232268392
],
[
2.07669674365091,
3.87646125,
0.7519924154102484
],
[
2.1919151... | [
[
4.268611858588848,
0,
-2.171803497248064
],
[
1.9788397605804313e-15,
5.168615,
3.164863907887498e-16
],
[
0,
0,
5.28081331
]
] | [
12,
12,
31,
31,
31,
31
] | [
1,
1,
1
] | -0.067434 | 0 | 0.062204 | 63 | 63 | [
"Ga",
"Mg"
] |
mp-15639 | mp-15639 | HgRhF6 | # generated using pymatgen
data_HgRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81910087
_cell_length_b 5.81910087
_cell_length_c 5.81910107
_cell_angle_alpha 54.06830284
_cell_angle_beta 54.06830284
_cell_angle_gamma 54.06831385
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HgRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28981355
_cell_length_b 5.28981355
_cell_length_c 14.85971212
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.2271499117972304,
2.188897228638333,
5.313884516106746
],
[
0,
0,
0
],
[
1.915668507406365,
0.2591347873095778,
5.552607339222289
],
[
1.6473156485900375,
3.437991432160797,
6.515901344418726
],
[
2.0836973622274937,
2.693761996629307,
... | [
[
4.711825618998037,
0,
2.404333981106745
],
[
1.7424742045964239,
4.377794457276665,
2.404333981106745
],
[
0,
0,
5.81910107
]
] | [
80,
45,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.788798 | 0 | 0 | 148 | 148 | [
"Hg",
"Rh",
"F"
] |
mp-850194 | mp-850194 | TiNiO3 | # generated using pymatgen
data_TiNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50930406
_cell_length_b 5.50930406
_cell_length_c 5.50930440
_cell_angle_alpha 54.85176592
_cell_angle_beta 54.85176592
_cell_angle_gamma 54.85176898
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07517995
_cell_length_b 5.07517995
_cell_length_c 13.99641162
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.250018626221088,
3.579328396721705,
6.410788497161645
],
[
2.1747067753461864,
1.4826594474661001,
6.827808499140589
],
[
3.971586887317585,
2.7077263411645562,
3.365104561659507
],
[
0.896275036442683,
0.6110573919089517,
3.7821245636384524
],
[
... | [
[
4.5047671048264535,
0,
2.3376321980210544
],
[
1.6458565969233498,
4.193337898511208,
2.3376321980210544
],
[
0,
0,
5.5093044
]
] | [
22,
22,
28,
28,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.582766 | 2.5916 | 0.013952 | 161 | 161 | [
"Ni",
"O",
"Ti"
] |
mp-1184273 | mp-1184273 | EuBr2 | # generated using pymatgen
data_EuBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14275000
_cell_length_b 7.14275000
_cell_length_c 4.62723400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_EuBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14275000
_cell_length_b 7.14275000
_cell_length_c 4.62723400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
0,
0,
0
],
[
2.313617,
3.571375,
3.5713750000000006
],
[
-1.323377217588285e-16,
2.1612390095,
2.1612390095
],
[
-3.050295744716593e-16,
4.9815109905,
4.9815109905
],
[
2.313617,
1.4101359904999997,
5.732614009500001
],
[
2.313616... | [
[
4.627234,
0,
2.833363653502902e-16
],
[
-4.3736729623048786e-16,
7.14275,
4.3736729623048786e-16
],
[
0,
0,
7.14275
]
] | [
63,
63,
35,
35,
35,
35
] | [
1,
1,
1
] | -2.389728 | 1.4701 | 0.002033 | 136 | 136 | [
"Br",
"Eu"
] |
mp-1112970 | mp-1112970 | Cs3InF6 | # generated using pymatgen
data_Cs3InF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99375276
_cell_length_b 6.99375276
_cell_length_c 6.99375276
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs3InF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.89066001
_cell_length_b 9.89066001
_cell_length_c 9.89066001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0189225193158435,
1.4275938040984602,
3.496876379999999
],
[
6.0567675579475315,
4.2827814122953844,
10.49062914
],
[
4.037845038631687,
2.8551876081969225,
6.99375276
],
[
0,
0,
0
],
[
2.881818079761513,
4.490056611900047,
4.9914553323... | [
[
6.0567675579475315,
0,
3.4968763800000007
],
[
2.018922519315844,
5.710375216393846,
3.4968763800000002
],
[
0,
0,
6.993752759999999
]
] | [
55,
55,
55,
49,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.963986 | 5.3336 | 0 | 225 | 225 | [
"Cs",
"F",
"In"
] |
mp-22187 | mp-22187 | Gd(GeRh)2 | # generated using pymatgen
data_Gd(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99721114
_cell_length_b 5.99721114
_cell_length_c 5.99721114
_cell_angle_alpha 139.44207429
_cell_angle_beta 139.44207429
_cell_angle_gamma 58.70141715
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Gd(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15716200
_cell_length_b 4.15716200
_cell_length_c 10.45476800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
2.0955719393159837,
2.404182928771319,
-0.325745250006071
],
[
1.271533492722373,
1.458789869825197,
3.441284308432607
],
[
2.791519123975338,
0.9657431996491291,
1.5577695292379283
],
[
0.5755863080630184,
2.8972295989473866,
... | [
[
3.8994855319314983,
0,
-1.4408360407374117
],
[
-0.5323800998931416,
3.8629727985965157,
-1.4408360408360532
],
[
0,
0,
5.997211140000001
]
] | [
64,
32,
32,
45,
45
] | [
1,
1,
1
] | -0.890363 | 0 | 0 | 139 | 139 | [
"Gd",
"Ge",
"Rh"
] |
mp-989554 | mp-989554 | LaMnN3 | # generated using pymatgen
data_LaMnN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43016100
_cell_length_b 6.43016100
_cell_length_c 5.32719700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 143.38293829
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaMnN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03986200
_cell_length_b 12.20931599
_cell_length_c 5.32719700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.417161314142178,
1.33179925,
4.282960731337
],
[
2.418197683154643,
3.99539775,
0.8781430118341582
],
[
3.4771057840773185,
3.99539775,
4.0783868860410255
],
[
0.3582532132195013,
1.33179925,
1.0827168571301315
],
[
1.7869742993795321,
3.99... | [
[
3.83535899729682,
0,
-1.2690572568288425
],
[
8.566786154989428e-16,
5.327197,
3.261967377238691e-16
],
[
0,
0,
6.430161
]
] | [
57,
57,
25,
25,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | -0.894334 | 0 | 0.013572 | 63 | 63 | [
"La",
"Mn",
"N"
] |
mp-3804 | mp-3804 | Sr(PRu)2 | # generated using pymatgen
data_Sr(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32987955
_cell_length_b 6.32987955
_cell_length_c 6.32987955
_cell_angle_alpha 142.52670848
_cell_angle_beta 142.52670848
_cell_angle_gamma 54.03619526
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sr(PRu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06655200
_cell_length_b 4.06655200
_cell_length_c 11.27811199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
2.2112419387915763,
2.482134445233312,
0.18922066317360917
],
[
1.1967296827254237,
1.3433373865680331,
3.5281533842606114
],
[
0.6304561308090956,
2.869103873851009,
1.8586870236606852
],
[
2.7775154907079034,
0.9563679579503362... | [
[
3.8510451706573074,
0,
-1.306252751170039
],
[
-0.4430735491403082,
3.825471831801345,
-1.3062527513957405
],
[
0,
0,
6.32987955
]
] | [
38,
15,
15,
44,
44
] | [
1,
1,
1
] | -0.927601 | 0 | 0 | 139 | 139 | [
"Sr",
"P",
"Ru"
] |
mp-1185623 | mp-1185623 | MgURu2 | # generated using pymatgen
data_MgURu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61501019
_cell_length_b 4.61501019
_cell_length_c 4.61501019
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgURu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52661000
_cell_length_b 6.52661000
_cell_length_c 6.52661000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6644773755093656,
1.8840700205408074,
4.61501019
],
[
0,
0,
0
],
[
3.996716063264049,
2.826105030811211,
6.922515284999999
],
[
1.3322386877546828,
0.9420350102704028,
2.307505095
]
] | [
[
3.996716063264049,
0,
2.3075050949999993
],
[
1.332238687754684,
3.768140041081615,
2.3075050949999993
],
[
0,
0,
4.61501019
]
] | [
12,
92,
44,
44
] | [
1,
1,
1
] | -0.207293 | 0 | 0.016017 | 225 | 225 | [
"Mg",
"Ru",
"U"
] |
mp-1184356 | mp-1184356 | Eu2ZnAg | # generated using pymatgen
data_Eu2ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39087179
_cell_length_b 5.39087179
_cell_length_c 5.39087179
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Eu2ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62384400
_cell_length_b 7.62384400
_cell_length_c 7.62384400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.6686319186848895,
3.3012212885660475,
8.086307685
],
[
1.5562106395616293,
1.1004070961886816,
2.6954358949999992
],
[
0,
0,
0
],
[
3.1124212791232595,
2.2008141923773645,
5.3908717899999985
]
] | [
[
4.66863191868489,
0,
2.6954358949999997
],
[
1.5562106395616286,
4.40162838475473,
2.695435895
],
[
0,
0,
5.390871789999999
]
] | [
63,
63,
30,
47
] | [
1,
1,
1
] | -0.267991 | 0 | 0.012173 | 225 | 225 | [
"Ag",
"Eu",
"Zn"
] |
mp-36007 | mp-36007 | Ba(NdSe2)2 | # generated using pymatgen
data_Ba(NdSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98922332
_cell_length_b 7.98922332
_cell_length_c 7.98922332
_cell_angle_alpha 109.40697012
_cell_angle_beta 109.40697012
_cell_angle_gamma 109.59979823
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba(NdSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.23247399
_cell_length_b 9.23247399
_cell_length_c 9.21051600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.655955886042263,
3.260283889704736,
3.1987257347191766e-10
],
[
0.9486402582995889,
4.890425834557104,
-1.3399854995844376
],
[
0.4830712684848336,
0.8150709724261839,
5.3328760223284695
],
[
1.8805561607199281,
1.6206284364622099,
1.338264362407506
... | [
[
7.535293570763806,
0,
-2.654626159935753
],
[
-3.7586753694430857,
6.520567779409472,
-2.6799709994887473
],
[
0,
0,
7.989223319999999
]
] | [
56,
56,
60,
60,
60,
60,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -2.185457 | 1.6105 | 0.013085 | 122 | 122 | [
"Ba",
"Nd",
"Se"
] |
mp-1021494 | mp-1021494 | Cd5(S2Cl)2 | # generated using pymatgen
data_Cd5(S2Cl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59556792
_cell_length_b 7.59556792
_cell_length_c 9.84912440
_cell_angle_alpha 80.89821362
_cell_angle_beta 80.89821362
_cell_angle_gamma 32.65077306
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cd5(S2Cl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.57864201
_cell_length_b 4.27010600
_cell_length_c 9.84912440
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.48764105
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
2.135053001626025,
0.7163010132026119,
8.968196423322203
],
[
2.135053001626026,
4.881214309842381,
8.986578417348378
],
[
2.1350530016260256,
4.824028138417975,
5.297808906240723
],
[
6.630333958093029e-16,
6.53387597101731,
2.2218400991851754
],
[
... | [
[
4.27010600325205,
0,
2.6146858244512604e-16
],
[
-2.135053001626024,
7.189611695298724,
-1.2015341769607026
],
[
0,
0,
9.8491244
]
] | [
48,
48,
48,
48,
48,
16,
16,
16,
16,
17,
17
] | [
1,
1,
1
] | -1.003916 | 1.3708 | 0.046876 | 8 | 8 | [
"Cd",
"Cl",
"S"
] |
mp-1113712 | mp-1113712 | Rb2AgPdF6 | # generated using pymatgen
data_Rb2AgPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25341620
_cell_length_b 6.25341620
_cell_length_c 6.25341620
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb2AgPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.84366600
_cell_length_b 8.84366600
_cell_length_c 8.84366600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.41561728963715,
3.8294197098135396,
9.3801243
],
[
1.8052057632123841,
1.2764732366045148,
3.126708100000002
],
[
3.610411526424766,
2.5529464732090275,
6.2534162
],
[
0,
0,
0
],
[
1.7113639468175503,
1.2101170518728657,
6.2534162
],
... | [
[
5.415617289637151,
0,
3.1267080999999997
],
[
1.8052057632123832,
5.105892946418052,
3.1267081000000005
],
[
0,
0,
6.2534162
]
] | [
37,
37,
47,
46,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.171835 | 0 | 0 | 225 | 225 | [
"Ag",
"F",
"Pd",
"Rb"
] |
mp-4889 | mp-4889 | Y(GeRh)2 | # generated using pymatgen
data_Y(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96587225
_cell_length_b 5.96587225
_cell_length_c 5.96587225
_cell_angle_alpha 139.31353777
_cell_angle_beta 139.31353777
_cell_angle_gamma 58.89709223
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Y(GeRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14799000
_cell_length_b 4.14799000
_cell_length_c 10.39013401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
2.0854504064124715,
2.3948739639143284,
-0.3412136515010085
],
[
1.2691597086691906,
1.4574681483649599,
3.4230447515244
],
[
0.5713240910426264,
2.8892565842094666,
1.540915550083623
],
[
2.783286024039037,
0.9630855280698222,
... | [
[
3.8892669905372417,
0,
-1.4420205751321582
],
[
-0.5346568754555786,
3.8523421122792887,
-1.4420205748444503
],
[
0,
0,
5.96587225
]
] | [
39,
32,
32,
45,
45
] | [
1,
1,
1
] | -0.885926 | 0 | 0 | 139 | 139 | [
"Y",
"Ge",
"Rh"
] |
mp-12584 | mp-12584 | Th2CrN3 | # generated using pymatgen
data_Th2CrN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96221483
_cell_length_b 6.96221483
_cell_length_c 6.96221483
_cell_angle_alpha 150.35975786
_cell_angle_beta 148.42349475
_cell_angle_gamma 43.85549339
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Th2CrN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56166400
_cell_length_b 3.78860000
_cell_length_c 12.91707401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.046531935508874,
2.3467001552727385,
0.7725981584763757
],
[
1.123908426609524,
1.2887539321887467,
4.24778198920986
],
[
0,
0,
0
],
[
0.5210999187985044,
0.5975305047233446,
1.969483275722465
],
[
2.6493404433198933,
3.03792358273814,
... | [
[
3.443180340914183,
0,
-0.9110211891540868
],
[
-0.2727399787957857,
3.635454087461485,
-1.0308134931596782
],
[
0,
0,
6.96221483
]
] | [
90,
90,
24,
7,
7,
7
] | [
1,
1,
1
] | -1.529252 | 0 | 0 | 71 | 71 | [
"Cr",
"N",
"Th"
] |
mp-4593 | mp-4593 | Mn3AlC | # generated using pymatgen
data_Mn3AlC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80660100
_cell_length_b 3.80660100
_cell_length_c 3.80660100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Mn3AlC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80660100
_cell_length_b 3.80660100
_cell_length_c 3.80660100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.1654354325702785e-16,
1.9033005,
1.9033005000000003
],
[
1.9033004999999998,
1.9033005,
2.330870865140557e-16
],
[
1.9033005,
0,
1.9033005000000003
],
[
0,
0,
0
],
[
1.9033004999999998,
1.9033005,
1.9033005000000003
]
] | [
[
3.806601,
0,
2.330870865140557e-16
],
[
-2.330870865140557e-16,
3.806601,
2.330870865140557e-16
],
[
0,
0,
3.806601
]
] | [
25,
25,
25,
13,
6
] | [
1,
1,
1
] | -0.191933 | 0 | 0 | 221 | 221 | [
"Mn",
"Al",
"C"
] |
mp-1111998 | mp-1111998 | K2ScAgBr6 | # generated using pymatgen
data_K2ScAgBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77842067
_cell_length_b 7.77842067
_cell_length_c 7.77842067
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_K2ScAgBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.00034801
_cell_length_b 11.00034801
_cell_length_c 11.00034801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.2454366338473224,
1.5877634705181387,
3.8892103349999987
],
[
6.736309901541974,
4.763290411554414,
11.667631005
],
[
0,
0,
0
],
[
4.490873267694648,
3.175526941036276,
7.778420669999999
],
[
3.3300903089540066,
4.817121944258861,
5.767... | [
[
6.736309901541975,
0,
3.8892103349999996
],
[
2.245436633847325,
6.351053882072552,
3.889210335000001
],
[
0,
0,
7.77842067
]
] | [
19,
19,
21,
47,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.765207 | 2.8835 | 0.000628 | 225 | 225 | [
"Ag",
"Br",
"K",
"Sc"
] |
mp-20580 | mp-20580 | NiRhF6 | # generated using pymatgen
data_NiRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42135359
_cell_length_b 5.42135359
_cell_length_c 5.42135369
_cell_angle_alpha 56.16887251
_cell_angle_beta 56.16887251
_cell_angle_gamma 56.16887742
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NiRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10444582
_cell_length_b 5.10444582
_cell_length_c 13.65113828
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.057000782337261,
2.1027860829426883,
5.113708251318821
],
[
0,
0,
0
],
[
1.890595299422301,
0.46000548350454257,
5.258231797255656
],
[
1.7121814928591634,
3.1846316724672086,
6.1630836611793836
],
[
2.09068638131242,
2.604531870193643,
... | [
[
4.5034215147640255,
0,
2.403031406318821
],
[
1.6105800499104965,
4.205572165885377,
2.4030314063188216
],
[
0,
0,
5.42135369
]
] | [
28,
45,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -1.995399 | 0.0064 | 0 | 148 | 148 | [
"F",
"Ni",
"Rh"
] |
mp-13139 | mp-13139 | SrLiGe2 | # generated using pymatgen
data_SrLiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49130100
_cell_length_b 7.21651800
_cell_length_c 11.62549600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrLiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49130100
_cell_length_b 7.21651800
_cell_length_c 11.62549600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.12282525,
0.9911021490839999,
1.682465032112
],
[
3.3684757499999995,
6.225415850916,
9.943030967888001
],
[
1.1228252499999998,
4.599361149083999,
4.130282967888
],
[
3.36847575,
2.617156850916,
7.495213032112001
],
[
1.12282525,
0.8976482... | [
[
4.491301,
0,
2.7501286968286533e-16
],
[
-4.418842834844629e-16,
7.216518,
4.418842834844629e-16
],
[
0,
0,
11.625496
]
] | [
38,
38,
38,
38,
3,
3,
3,
3,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.531462 | 0 | 0 | 62 | 62 | [
"Ge",
"Li",
"Sr"
] |
mp-1219732 | mp-1219732 | Pt4SeS3 | # generated using pymatgen
data_Pt4SeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58052600
_cell_length_b 3.58052600
_cell_length_c 12.40595200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pt4SeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58052600
_cell_length_b 3.58052600
_cell_length_c 12.40595200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.790263,
0,
10.75124612224
],
[
1.790263,
0,
4.68833332032
],
[
-1.096219926290969e-16,
1.790263,
7.71761867968
],
[
-1.096219926290969e-16,
1.790263,
1.6547058777599999
],
[
0,
0,
0
],
[
0,
0,
6.202976
],
[
0,
... | [
[
3.580526,
0,
2.192439852581938e-16
],
[
-2.192439852581938e-16,
3.580526,
2.192439852581938e-16
],
[
0,
0,
12.405952
]
] | [
78,
78,
78,
78,
34,
16,
16,
16
] | [
1,
1,
1
] | -0.615276 | 0.3024 | 0.018534 | 115 | 115 | [
"Pt",
"S",
"Se"
] |
mp-1222392 | mp-1222392 | LiUI6 | # generated using pymatgen
data_LiUI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61748358
_cell_length_b 7.61748358
_cell_length_c 7.41638487
_cell_angle_alpha 79.24666889
_cell_angle_beta 79.24666889
_cell_angle_gamma 117.39498769
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiUI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.91542600
_cell_length_b 13.01730600
_cell_length_c 7.41638487
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.04592915
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.316772078967803,
0.9924855462920817,
5.207463327488313
],
[
5.17580749897599,
6.418835620145189,
-4.878241834583583
],
[
5.0768494871217476,
1.5045560465350025,
-0.15710477480509288
],
[
0.07976323043633836,
4.972662588073086,
2.795276760353583
],
... | [
[
7.286149827470291,
0,
-1.3837576491638823
],
[
-2.1123342597011994,
6.424894295465815,
-3.504972661655582
],
[
0,
0,
7.617483579999999
]
] | [
3,
92,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.162662 | 0.6481 | 0 | 5 | 5 | [
"I",
"Li",
"U"
] |
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