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=spacegroup&page=11456",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11454",
"results": [
{
"id": "mp-1113050",
"created_at": "2022-09-04T14:41:26.898399Z",
"structure_string": "Cs2 K1 Ga1 Cl6\n1.0\n0.000000 5.446962 5.446962\n5.446962 0.000000 5.446962\n5.446962 5.446962 0.000000\nCs K Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.779248 0.220752 0.220752 Cl\n0.220752 0.220752 0.779248 Cl\n0.220752 0.779248 0.779248 Cl\n0.220752 0.779248 0.220752 Cl\n0.779248 0.220752 0.779248 Cl\n0.779248 0.779248 0.220752 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Cs-Ga-K",
"density": 3.017541065710021,
"density_atomic": 0.03093904954062779,
"volume": 323.2161345767407,
"volume_molar": 19.46453058324236,
"formula_full": "Cs2 K1 Ga1 Cl6",
"formula_reduced": "Cs2KGaCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.16746371,
"energy_per_atom": -3.716746371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.48346371,
"band_gap": 3.3316,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.493000Z",
"spacegroup": 225
},
{
"id": "mp-1184399",
"created_at": "2022-09-04T14:41:27.100649Z",
"structure_string": "Gd2 Mg1 Ru1\n1.0\n0.000000 3.595612 3.595612\n3.595612 0.000000 3.595612\n3.595612 3.595612 0.000000\nGd Mg Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Gd\n0.249999 0.249999 0.249999 Mg\n0.749999 0.749999 0.749999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Ru"
],
"chemical_system": "Gd-Mg-Ru",
"density": 7.856514531630016,
"density_atomic": 0.04302407402904171,
"volume": 92.97120484917252,
"volume_molar": 13.997142055712787,
"formula_full": "Gd2 Mg1 Ru1",
"formula_reduced": "Gd2MgRu",
"formula_anonymous": "ABC2",
"energy": -39.68476338,
"energy_per_atom": -9.921190845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.68476338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1830908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.539000Z",
"spacegroup": 225
},
{
"id": "mp-1201735",
"created_at": "2022-09-04T14:41:26.787865Z",
"structure_string": "La21 Mn8 Sn7 C12\n1.0\n0.000000 8.262739 8.262739\n8.262739 0.000000 8.262739\n8.262739 8.262739 0.000000\nLa Mn Sn C\n21 8 7 12\ndirect\n0.000000 0.000000 0.339724 La\n0.660276 0.000000 0.339724 La\n0.000000 0.660276 0.339724 La\n0.660276 0.339724 0.000000 La\n0.000000 0.339724 0.000000 La\n0.000000 0.339724 0.660276 La\n0.339724 0.660276 0.000000 La\n0.339724 0.000000 0.660276 La\n0.339724 0.000000 0.000000 La\n0.000000 0.000000 0.660276 La\n0.000000 0.660276 0.000000 La\n0.660276 0.000000 0.000000 La\n0.634261 0.634261 0.097218 La\n0.634261 0.097218 0.634261 La\n0.097218 0.634261 0.634261 La\n0.634261 0.634261 0.634261 La\n0.365739 0.365739 0.902782 La\n0.365739 0.902782 0.365739 La\n0.902782 0.365739 0.365739 La\n0.365739 0.365739 0.365739 La\n0.500000 0.500000 0.500000 La\n0.802351 0.802351 0.592948 Mn\n0.802351 0.592948 0.802351 Mn\n0.592948 0.802351 0.802351 Mn\n0.802351 0.802351 0.802351 Mn\n0.197649 0.197649 0.407052 Mn\n0.197649 0.407052 0.197649 Mn\n0.407052 0.197649 0.197649 Mn\n0.197649 0.197649 0.197649 Mn\n0.710281 0.710281 0.289719 Sn\n0.289719 0.710281 0.289719 Sn\n0.710281 0.289719 0.289719 Sn\n0.289719 0.289719 0.710281 Sn\n0.710281 0.289719 0.710281 Sn\n0.289719 0.710281 0.710281 Sn\n0.000000 0.000000 0.000000 Sn\n0.891861 0.891861 0.608139 C\n0.608139 0.891861 0.608139 C\n0.891861 0.608139 0.608139 C\n0.608139 0.608139 0.891861 C\n0.891861 0.608139 0.891861 C\n0.608139 0.891861 0.891861 C\n0.108139 0.108139 0.391861 C\n0.391861 0.108139 0.391861 C\n0.108139 0.391861 0.391861 C\n0.391861 0.391861 0.108139 C\n0.108139 0.391861 0.108139 C\n0.391861 0.108139 0.108139 C\n",
"nsites": 48,
"nelements": 4,
"elements": [
"La",
"Mn",
"Sn",
"C"
],
"chemical_system": "C-La-Mn-Sn",
"density": 6.375248393395793,
"density_atomic": 0.04254408010793252,
"volume": 1128.2415762246133,
"volume_molar": 14.155061631893524,
"formula_full": "La21 Mn8 Sn7 C12",
"formula_reduced": "La21Mn8Sn7C12",
"formula_anonymous": "A7B8C12D21",
"energy": -337.90014919,
"energy_per_atom": -7.039586441458333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -337.90014919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7540749,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.897000Z",
"spacegroup": 225
},
{
"id": "mp-614481",
"created_at": "2022-09-04T14:41:26.926594Z",
"structure_string": "Gd1 Bi1\n1.0\n0.000000 3.198360 3.198360\n3.198360 0.000000 3.198360\n3.198360 3.198360 0.000000\nGd Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Bi"
],
"chemical_system": "Bi-Gd",
"density": 9.293760083951774,
"density_atomic": 0.030564547036274682,
"volume": 65.43529003149811,
"volume_molar": 19.703026362055322,
"formula_full": "Gd1 Bi1",
"formula_reduced": "GdBi",
"formula_anonymous": "AB",
"energy": -19.77627088,
"energy_per_atom": -9.88813544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.77627088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0021754,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.320000Z",
"spacegroup": 225
},
{
"id": "mp-976412",
"created_at": "2022-09-04T14:41:26.957524Z",
"structure_string": "Li3 Zn1\n1.0\n0.000000 3.212210 3.212210\n3.212210 0.000000 3.212210\n3.212210 3.212210 0.000000\nLi Zn\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Zn"
],
"chemical_system": "Li-Zn",
"density": 2.1601095222763997,
"density_atomic": 0.06034179239567811,
"volume": 66.28904845535371,
"volume_molar": 9.980049516115015,
"formula_full": "Li3 Zn1",
"formula_reduced": "Li3Zn",
"formula_anonymous": "AB3",
"energy": -7.40074581,
"energy_per_atom": -1.8501864525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.40074581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.039000Z",
"spacegroup": 225
},
{
"id": "mp-1205875",
"created_at": "2022-09-04T14:41:26.989851Z",
"structure_string": "Ba2 In1 Re1 O6\n1.0\n0.000000 4.177181 4.177181\n4.177181 0.000000 4.177181\n4.177181 4.177181 0.000000\nBa In Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Re\n0.739005 0.260995 0.260995 O\n0.260995 0.739005 0.739005 O\n0.260995 0.739005 0.260995 O\n0.739005 0.260995 0.739005 O\n0.260995 0.260995 0.739005 O\n0.739005 0.739005 0.260995 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"In",
"Re",
"O"
],
"chemical_system": "Ba-In-O-Re",
"density": 7.651184288284523,
"density_atomic": 0.06859936924989792,
"volume": 145.77393508636206,
"volume_molar": 8.77871156229175,
"formula_full": "Ba2 In1 Re1 O6",
"formula_reduced": "Ba2InReO6",
"formula_anonymous": "ABC2D6",
"energy": -73.63354002,
"energy_per_atom": -7.3633540019999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.51154002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.298000Z",
"spacegroup": 225
},
{
"id": "mp-866145",
"created_at": "2022-09-04T14:41:27.005882Z",
"structure_string": "Lu2 Ag1 Ir1\n1.0\n0.000000 3.445960 3.445960\n3.445960 0.000000 3.445960\n3.445960 3.445960 0.000000\nLu Ag Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250000 0.250000 0.250000 Lu\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir-Lu",
"density": 13.189082681403589,
"density_atomic": 0.04887641006920334,
"volume": 81.83907112524146,
"volume_molar": 12.321160149596391,
"formula_full": "Lu2 Ag1 Ir1",
"formula_reduced": "Lu2AgIr",
"formula_anonymous": "ABC2",
"energy": -23.4939477,
"energy_per_atom": -5.873486925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.4939477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.555000Z",
"spacegroup": 225
},
{
"id": "mp-1112052",
"created_at": "2022-09-04T14:41:27.087550Z",
"structure_string": "Cs1 K2 Ti1 F6\n1.0\n0.000000 4.763474 4.763474\n4.763474 0.000000 4.763474\n4.763474 4.763474 0.000000\nCs K Ti F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ti\n0.791418 0.208582 0.208582 F\n0.208582 0.208582 0.791418 F\n0.208582 0.791418 0.791418 F\n0.208582 0.791418 0.208582 F\n0.791418 0.208582 0.791418 F\n0.791418 0.791418 0.208582 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Ti",
"F"
],
"chemical_system": "Cs-F-K-Ti",
"density": 2.8648991912427126,
"density_atomic": 0.046259252105733645,
"volume": 216.17297177963977,
"volume_molar": 13.018240645644983,
"formula_full": "Cs1 K2 Ti1 F6",
"formula_reduced": "CsK2TiF6",
"formula_anonymous": "ABC2D6",
"energy": -54.3577728,
"energy_per_atom": -5.43577728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.5857728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.987345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.190000Z",
"spacegroup": 225
},
{
"id": "mp-1006056",
"created_at": "2022-09-04T14:41:27.112396Z",
"structure_string": "Pa1 Ni2 Ge1\n1.0\n0.000000 3.188611 3.188611\n3.188611 0.000000 3.188611\n3.188611 3.188611 0.000000\nPa Ni Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Pa\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Pa",
"density": 10.783536985134958,
"density_atomic": 0.06169150648790874,
"volume": 64.83874730444428,
"volume_molar": 9.76170157423585,
"formula_full": "Pa1 Ni2 Ge1",
"formula_reduced": "PaNi2Ge",
"formula_anonymous": "ABC2",
"energy": -27.31495738,
"energy_per_atom": -6.828739345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.31495738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.129000Z",
"spacegroup": 225
},
{
"id": "mp-1111983",
"created_at": "2022-09-04T14:41:27.032272Z",
"structure_string": "K2 In1 Au1 Cl6\n1.0\n0.000000 5.251206 5.251206\n5.251206 0.000000 5.251206\n5.251206 5.251206 0.000000\nK In Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Au\n0.756033 0.243967 0.243967 Cl\n0.243967 0.243967 0.756033 Cl\n0.243967 0.756033 0.756033 Cl\n0.243967 0.756033 0.243967 Cl\n0.756033 0.243967 0.756033 Cl\n0.756033 0.756033 0.243967 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-In-K",
"density": 3.455751678842868,
"density_atomic": 0.0345297025766928,
"volume": 289.6057380682421,
"volume_molar": 17.440465195506444,
"formula_full": "K2 In1 Au1 Cl6",
"formula_reduced": "K2InAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.86370178,
"energy_per_atom": -3.486370178,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.17970178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.592000Z",
"spacegroup": 225
},
{
"id": "mp-647426",
"created_at": "2022-09-04T14:41:27.038296Z",
"structure_string": "Cs2 Np1 Br6\n1.0\n0.000000 5.675645 5.675645\n5.675645 0.000000 5.675645\n5.675645 5.675645 0.000000\nCs Np Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Np\n0.755755 0.244245 0.755755 Br\n0.244245 0.755755 0.244245 Br\n0.755755 0.755755 0.244245 Br\n0.244245 0.244245 0.755755 Br\n0.755755 0.244245 0.244245 Br\n0.244245 0.755755 0.755755 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Np",
"Br"
],
"chemical_system": "Br-Cs-Np",
"density": 4.460553928068586,
"density_atomic": 0.02461312988877174,
"volume": 365.658493684938,
"volume_molar": 24.46718798955853,
"formula_full": "Cs2 Np1 Br6",
"formula_reduced": "Cs2NpBr6",
"formula_anonymous": "AB2C6",
"energy": -42.29347171,
"energy_per_atom": -4.6992746344444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.08947171,
"band_gap": 0.0910999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9913908,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.811000Z",
"spacegroup": 225
},
{
"id": "mp-977410",
"created_at": "2022-09-04T14:41:28.296421Z",
"structure_string": "Nb1 Ga1 Fe2\n1.0\n0.000000 2.967747 2.967747\n2.967747 0.000000 2.967747\n2.967747 2.967747 0.000000\nNb Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Nb",
"density": 8.713546806039547,
"density_atomic": 0.07651549139977282,
"volume": 52.276995505407896,
"volume_molar": 7.870485636086341,
"formula_full": "Nb1 Ga1 Fe2",
"formula_reduced": "NbGaFe2",
"formula_anonymous": "ABC2",
"energy": -31.10079669,
"energy_per_atom": -7.7751991725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.10079669,
"band_gap": 0.0905000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.523000Z",
"spacegroup": 225
}
]
}