HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=157",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=155",
"results": [
{
"id": "mp-978093",
"created_at": "2022-09-04T14:41:19.833843Z",
"structure_string": "Ho4 S6\n1.0\n6.459849 -3.435385 0.000000\n6.459849 3.435385 0.000000\n4.632891 0.000000 5.662848\nHo S\n4 6\ndirect\n0.850187 0.850187 0.850187 Ho\n0.649813 0.649813 0.649813 Ho\n0.350187 0.350187 0.350187 Ho\n0.149813 0.149813 0.149813 Ho\n0.551392 0.948608 0.250000 S\n0.250000 0.551392 0.948608 S\n0.948608 0.250000 0.551392 S\n0.051392 0.750000 0.448608 S\n0.750000 0.448608 0.051392 S\n0.448608 0.051392 0.750000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ho",
"S"
],
"chemical_system": "Ho-S",
"density": 5.629667303827902,
"density_atomic": 0.03978664494071402,
"volume": 251.34061982107252,
"volume_molar": 15.136085912681446,
"formula_full": "Ho4 S6",
"formula_reduced": "Ho2S3",
"formula_anonymous": "A2B3",
"energy": -66.73019743,
"energy_per_atom": -6.673019743,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.71219743,
"band_gap": 2.4745,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.081000Z",
"spacegroup": 167
},
{
"id": "mp-978092",
"created_at": "2022-09-04T14:41:30.270883Z",
"structure_string": "Pr2 Cu2 Ge4\n1.0\n2.139227 -8.744043 0.000000\n2.139227 8.744043 0.000000\n0.000000 0.000000 4.235243\nPr Cu Ge\n2 2 4\ndirect\n0.896150 0.103850 0.750000 Pr\n0.103850 0.896150 0.250000 Pr\n0.675265 0.324735 0.750000 Cu\n0.324735 0.675265 0.250000 Cu\n0.249137 0.750863 0.750000 Ge\n0.750863 0.249137 0.250000 Ge\n0.538879 0.461121 0.750000 Ge\n0.461121 0.538879 0.250000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Pr",
"density": 7.33059166230663,
"density_atomic": 0.050490829074924616,
"volume": 158.4446155187628,
"volume_molar": 11.927197216475875,
"formula_full": "Pr2 Cu2 Ge4",
"formula_reduced": "PrCuGe2",
"formula_anonymous": "ABC2",
"energy": -40.95069266,
"energy_per_atom": -5.1188365825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.95069266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029118,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.119000Z",
"spacegroup": 63
},
{
"id": "mp-978091",
"created_at": "2022-09-04T14:45:19.577283Z",
"structure_string": "Pr2 Fe17 C3\n1.0\n4.873683 -4.394068 0.000000\n4.873683 4.394068 0.000000\n0.912032 0.000000 6.498370\nPr Fe C\n2 17 3\ndirect\n0.655017 0.655017 0.655017 Pr\n0.344983 0.344983 0.344983 Pr\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.715774 0.284226 0.000000 Fe\n0.000000 0.715774 0.284226 Fe\n0.284226 0.000000 0.715774 Fe\n0.000000 0.284226 0.715774 Fe\n0.715774 0.000000 0.284226 Fe\n0.284226 0.715774 0.000000 Fe\n0.340953 0.340953 0.858718 Fe\n0.858718 0.340953 0.340953 Fe\n0.340953 0.858718 0.340953 Fe\n0.659047 0.659047 0.141282 Fe\n0.141282 0.659047 0.659047 Fe\n0.659047 0.141282 0.659047 Fe\n0.905452 0.905452 0.905452 Fe\n0.094548 0.094548 0.094548 Fe\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Fe",
"C"
],
"chemical_system": "C-Fe-Pr",
"density": 7.560317408443556,
"density_atomic": 0.07904314257598082,
"volume": 278.32901480166146,
"volume_molar": 7.618802294216948,
"formula_full": "Pr2 Fe17 C3",
"formula_reduced": "Pr2Fe17C3",
"formula_anonymous": "A2B3C17",
"energy": -181.55435651,
"energy_per_atom": -8.252470750454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.55435651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.1567992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.993000Z",
"spacegroup": 166
},
{
"id": "mp-978090",
"created_at": "2022-09-04T14:40:42.573041Z",
"structure_string": "Pr2 Ge2 Ru2\n1.0\n4.319408 0.000000 0.000000\n0.000000 4.319408 0.000000\n0.000000 0.000000 6.976621\nPr Ge Ru\n2 2 2\ndirect\n0.000000 0.500000 0.684727 Pr\n0.500000 0.000000 0.315273 Pr\n0.000000 0.500000 0.189556 Ge\n0.500000 0.000000 0.810444 Ge\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Ge",
"Ru"
],
"chemical_system": "Ge-Pr-Ru",
"density": 8.027283263536198,
"density_atomic": 0.046095407950043105,
"volume": 130.164809616234,
"volume_molar": 13.064513425126046,
"formula_full": "Pr2 Ge2 Ru2",
"formula_reduced": "PrGeRu",
"formula_anonymous": "ABC",
"energy": -41.30320306,
"energy_per_atom": -6.883867176666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.30320306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.847000Z",
"spacegroup": 129
},
{
"id": "mp-978089",
"created_at": "2022-09-04T14:39:11.882238Z",
"structure_string": "Pr2 Ir1 Au1\n1.0\n0.000000 3.658200 3.658200\n3.658200 0.000000 3.658200\n3.658200 3.658200 0.000000\nPr Ir Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Ir",
"Au"
],
"chemical_system": "Au-Ir-Pr",
"density": 11.379902829518914,
"density_atomic": 0.04085334856096049,
"volume": 97.91119065873599,
"volume_molar": 14.74087430315263,
"formula_full": "Pr2 Ir1 Au1",
"formula_reduced": "Pr2IrAu",
"formula_anonymous": "ABC2",
"energy": -24.25519347,
"energy_per_atom": -6.0637983675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.25519347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.591000Z",
"spacegroup": 225
},
{
"id": "mp-978088",
"created_at": "2022-09-04T14:48:06.338335Z",
"structure_string": "Pr2 Lu6\n1.0\n3.581029 -6.202524 0.000000\n3.581029 6.202524 0.000000\n0.000000 0.000000 5.625938\nPr Lu\n2 6\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.163917 0.327834 0.250000 Lu\n0.672166 0.836083 0.250000 Lu\n0.163917 0.836083 0.250000 Lu\n0.836083 0.672166 0.750000 Lu\n0.327834 0.163917 0.750000 Lu\n0.836083 0.163917 0.750000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Lu"
],
"chemical_system": "Lu-Pr",
"density": 8.847637024669773,
"density_atomic": 0.03201022730741752,
"volume": 249.92012468921808,
"volume_molar": 18.813177120440283,
"formula_full": "Pr2 Lu6",
"formula_reduced": "PrLu3",
"formula_anonymous": "AB3",
"energy": -36.56831459,
"energy_per_atom": -4.57103932375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.56831459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1022488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.514000Z",
"spacegroup": 194
},
{
"id": "mp-978086",
"created_at": "2022-09-04T14:40:25.017647Z",
"structure_string": "Pr2 Mo6\n1.0\n3.403318 -5.894720 0.000000\n3.403318 5.894720 0.000000\n0.000000 0.000000 4.427837\nPr Mo\n2 6\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.129765 0.259530 0.250000 Mo\n0.740470 0.870235 0.250000 Mo\n0.129765 0.870235 0.250000 Mo\n0.870235 0.740470 0.750000 Mo\n0.259530 0.129765 0.750000 Mo\n0.870235 0.129765 0.750000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Mo"
],
"chemical_system": "Mo-Pr",
"density": 8.014441336198828,
"density_atomic": 0.04503007338671147,
"volume": 177.65904868280379,
"volume_molar": 13.373597480694212,
"formula_full": "Pr2 Mo6",
"formula_reduced": "PrMo3",
"formula_anonymous": "AB3",
"energy": -70.10047202,
"energy_per_atom": -8.7625590025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.10047202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.396000Z",
"spacegroup": 194
},
{
"id": "mp-978085",
"created_at": "2022-09-04T14:46:52.221097Z",
"structure_string": "Pr2 Tl1 Ag1\n1.0\n0.000000 3.873857 3.873857\n3.873857 0.000000 3.873857\n3.873857 3.873857 0.000000\nPr Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"Ag"
],
"chemical_system": "Ag-Pr-Tl",
"density": 8.484448710282122,
"density_atomic": 0.034403231705240275,
"volume": 116.26814696570273,
"volume_molar": 17.50457867329572,
"formula_full": "Pr2 Tl1 Ag1",
"formula_reduced": "Pr2TlAg",
"formula_anonymous": "ABC2",
"energy": -16.03723423,
"energy_per_atom": -4.0093085575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.03723423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1410332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.992000Z",
"spacegroup": 225
},
{
"id": "mp-978084",
"created_at": "2022-09-04T14:44:57.641683Z",
"structure_string": "Pr2 V2 Ge6\n1.0\n3.143371 -5.444479 0.000000\n3.143371 5.444479 0.000000\n0.000000 0.000000 5.648243\nPr V Ge\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Pr\n0.333333 0.666667 0.750000 Pr\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.194016 0.388031 0.250000 Ge\n0.194016 0.805984 0.250000 Ge\n0.611969 0.805984 0.250000 Ge\n0.388031 0.194016 0.750000 Ge\n0.805984 0.194016 0.750000 Ge\n0.805984 0.611969 0.750000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"V",
"Ge"
],
"chemical_system": "Ge-Pr-V",
"density": 7.039195294922015,
"density_atomic": 0.05172549582832129,
"volume": 193.32825794827266,
"volume_molar": 11.642499822500866,
"formula_full": "Pr2 V2 Ge6",
"formula_reduced": "PrVGe3",
"formula_anonymous": "ABC3",
"energy": -60.5246193,
"energy_per_atom": -6.05246193,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.5246193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1252525,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.250000Z",
"spacegroup": 194
},
{
"id": "mp-978083",
"created_at": "2022-09-04T14:45:08.925499Z",
"structure_string": "Pr2 Zn1 Ag1\n1.0\n0.000000 3.760908 3.760908\n3.760908 0.000000 3.760908\n3.760908 3.760908 0.000000\nPr Zn Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Ag"
],
"chemical_system": "Ag-Pr-Zn",
"density": 7.1029809650905245,
"density_atomic": 0.037596885206552924,
"volume": 106.39179224620509,
"volume_molar": 16.01765871538309,
"formula_full": "Pr2 Zn1 Ag1",
"formula_reduced": "Pr2ZnAg",
"formula_anonymous": "ABC2",
"energy": -14.73394503,
"energy_per_atom": -3.6834862575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73394503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3872632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.070000Z",
"spacegroup": 225
},
{
"id": "mp-978039",
"created_at": "2022-09-04T14:41:30.066276Z",
"structure_string": "Ho4 Ga16 Co3\n1.0\n6.013991 0.000000 0.000000\n0.000000 6.013991 0.000000\n0.000000 0.000000 11.067082\nHo Ga Co\n4 16 3\ndirect\n0.000000 0.500000 0.193708 Ho\n0.000000 0.500000 0.806292 Ho\n0.500000 0.000000 0.806292 Ho\n0.500000 0.000000 0.193708 Ho\n0.000000 0.000000 0.218426 Ga\n0.000000 0.000000 0.781574 Ga\n0.500000 0.500000 0.196692 Ga\n0.500000 0.500000 0.803308 Ga\n0.280673 0.280673 0.000000 Ga\n0.719327 0.719327 0.000000 Ga\n0.280673 0.719327 0.000000 Ga\n0.719327 0.280673 0.000000 Ga\n0.250262 0.250262 0.383615 Ga\n0.749738 0.749738 0.383615 Ga\n0.250262 0.749738 0.616385 Ga\n0.749738 0.250262 0.616385 Ga\n0.749738 0.749738 0.616385 Ga\n0.250262 0.250262 0.616385 Ga\n0.250262 0.749738 0.383615 Ga\n0.749738 0.250262 0.383615 Ga\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Ho",
"density": 8.0982281174951,
"density_atomic": 0.057460468219051625,
"volume": 400.2751928912077,
"volume_molar": 10.480493714465238,
"formula_full": "Ho4 Ga16 Co3",
"formula_reduced": "Ho4Ga16Co3",
"formula_anonymous": "A3B4C16",
"energy": -99.70698222,
"energy_per_atom": -4.335086183478261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.70698222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0176656,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.223000Z",
"spacegroup": 123
},
{
"id": "mp-978034",
"created_at": "2022-09-04T14:41:30.681560Z",
"structure_string": "Rb3 Sm1\n1.0\n6.431041 0.000000 0.000000\n0.000000 6.431041 0.000000\n0.000000 0.000000 6.431041\nRb Sm\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sm"
],
"chemical_system": "Rb-Sm",
"density": 2.5394936498076284,
"density_atomic": 0.015038902933304897,
"volume": 265.97684802803457,
"volume_molar": 40.04375044314882,
"formula_full": "Rb3 Sm1",
"formula_reduced": "Rb3Sm",
"formula_anonymous": "AB3",
"energy": -5.21845756,
"energy_per_atom": -1.30461439,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.21845756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3097711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.607000Z",
"spacegroup": 221
}
]
}