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=energy&page=11482",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11480",
"results": [
{
"id": "mp-30457",
"created_at": "2022-09-04T14:43:10.888811Z",
"structure_string": "Lu1 Ni1 Bi1\n1.0\n0.000000 3.200931 3.200931\n3.200931 0.000000 3.200931\n3.200931 3.200931 0.000000\nLu Ni Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Bi"
],
"chemical_system": "Bi-Lu-Ni",
"density": 11.205767475851676,
"density_atomic": 0.04573643623908773,
"volume": 65.59321728342512,
"volume_molar": 13.16705291273503,
"formula_full": "Lu1 Ni1 Bi1",
"formula_reduced": "LuNiBi",
"formula_anonymous": "ABC",
"energy": -16.09808105,
"energy_per_atom": -5.366027016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.09808105,
"band_gap": 0.0126999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.475000Z",
"spacegroup": 216
},
{
"id": "mp-1099336",
"created_at": "2022-09-04T14:46:52.721825Z",
"structure_string": "Sr1 Mg6 Si1\n1.0\n3.392105 -5.838976 0.000000\n3.392105 5.838976 0.000000\n0.000000 0.000000 4.965840\nSr Mg Si\n1 6 1\ndirect\n0.675004 0.324996 0.500000 Sr\n0.846940 0.711951 0.000000 Mg\n0.288049 0.153060 0.000000 Mg\n0.332049 0.667951 0.000000 Mg\n0.687107 0.848154 0.500000 Mg\n0.151846 0.312893 0.500000 Mg\n0.164092 0.835908 0.500000 Mg\n0.854913 0.145087 0.000000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.2077558749936554,
"density_atomic": 0.04066879378905998,
"volume": 196.7110222519563,
"volume_molar": 14.807768313059665,
"formula_full": "Sr1 Mg6 Si1",
"formula_reduced": "SrMg6Si",
"formula_anonymous": "ABC6",
"energy": -16.0972862,
"energy_per_atom": -2.012160775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.1682862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.368000Z",
"spacegroup": 38
},
{
"id": "mp-1099119",
"created_at": "2022-09-04T14:46:56.132405Z",
"structure_string": "Cs1 Mg6 Mn1\n1.0\n3.428754 -6.070359 0.000000\n3.428754 6.070359 0.000000\n0.000000 0.000000 5.292036\nCs Mg Mn\n1 6 1\ndirect\n0.332419 0.667581 0.500000 Cs\n0.155511 0.288769 0.000000 Mg\n0.711231 0.844489 0.000000 Mg\n0.664643 0.335357 0.000000 Mg\n0.316435 0.147375 0.500000 Mg\n0.852625 0.683565 0.500000 Mg\n0.833891 0.166109 0.500000 Mg\n0.133246 0.866754 0.000000 Mn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Mn"
],
"chemical_system": "Cs-Mg-Mn",
"density": 2.515169867950196,
"density_atomic": 0.036315037606670826,
"volume": 220.29441595650323,
"volume_molar": 16.583049769150655,
"formula_full": "Cs1 Mg6 Mn1",
"formula_reduced": "CsMg6Mn",
"formula_anonymous": "ABC6",
"energy": -16.09562252,
"energy_per_atom": -2.011952815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.09562252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8675984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.222000Z",
"spacegroup": 38
},
{
"id": "mp-1095898",
"created_at": "2022-09-04T14:40:13.976418Z",
"structure_string": "Sc2 Ge1 Pd1\n1.0\n-4.997997 5.621156 7.970599\n4.997997 -5.621156 7.970599\n4.997997 5.621156 -7.970599\nSc Ge Pd\n2 1 1\ndirect\n0.000000 0.249376 0.249376 Sc\n0.000000 0.750624 0.750624 Sc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Sc",
"density": 0.49863562637724995,
"density_atomic": 0.00446567805709239,
"volume": 895.7206383579758,
"volume_molar": 134.85389414571964,
"formula_full": "Sc2 Ge1 Pd1",
"formula_reduced": "Sc2GePd",
"formula_anonymous": "ABC2",
"energy": -16.09454266,
"energy_per_atom": -4.023635665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.09454266,
"band_gap": 0.8393999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.978000Z",
"spacegroup": 71
},
{
"id": "mp-1184080",
"created_at": "2022-09-04T14:43:22.470030Z",
"structure_string": "Dy1 Tm1 Ag2\n1.0\n0.000000 3.620917 3.620917\n3.620917 0.000000 3.620917\n3.620917 3.620917 0.000000\nDy Tm Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Tm",
"Ag"
],
"chemical_system": "Ag-Dy-Tm",
"density": 9.56943186113942,
"density_atomic": 0.042128334108387525,
"volume": 94.94797467445126,
"volume_molar": 14.294751709161517,
"formula_full": "Dy1 Tm1 Ag2",
"formula_reduced": "DyTmAg2",
"formula_anonymous": "ABC2",
"energy": -16.0944152,
"energy_per_atom": -4.0236038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0944152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.092000Z",
"spacegroup": 225
},
{
"id": "mp-1097092",
"created_at": "2022-09-04T14:40:13.642990Z",
"structure_string": "Y2 Ag1 Rh1\n1.0\n-5.417137 6.146092 8.719182\n5.417137 -6.146092 8.719182\n5.417137 6.146092 -8.719182\nY Ag Rh\n2 1 1\ndirect\n0.000000 0.222580 0.222580 Y\n0.000000 0.777420 0.777420 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Rh"
],
"chemical_system": "Ag-Rh-Y",
"density": 0.5556879334636634,
"density_atomic": 0.003444731536602405,
"volume": 1161.1935378700848,
"volume_molar": 174.82177336640103,
"formula_full": "Y2 Ag1 Rh1",
"formula_reduced": "Y2AgRh",
"formula_anonymous": "ABC2",
"energy": -16.09310622,
"energy_per_atom": -4.023276555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.09310622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3085454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.645000Z",
"spacegroup": 71
},
{
"id": "mp-570485",
"created_at": "2022-09-04T14:42:44.378196Z",
"structure_string": "Sr1 Al1 Si1 H1\n1.0\n2.114695 -3.662760 0.000000\n2.114695 3.662760 0.000000\n0.000000 0.000000 4.964784\nSr Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.999815 Sr\n0.666667 0.333333 0.539574 Al\n0.333333 0.666667 0.445265 Si\n0.666667 0.333333 0.892346 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Al",
"Si",
"H"
],
"chemical_system": "Al-H-Si-Sr",
"density": 3.1024453067826654,
"density_atomic": 0.05200839312864665,
"volume": 76.91066305597447,
"volume_molar": 11.579170971700249,
"formula_full": "Sr1 Al1 Si1 H1",
"formula_reduced": "SrAlSiH",
"formula_anonymous": "ABCD",
"energy": -16.09301738,
"energy_per_atom": -4.023254345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.98501738,
"band_gap": 0.6256999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.992000Z",
"spacegroup": 156
},
{
"id": "mp-631458",
"created_at": "2022-09-04T14:45:28.017386Z",
"structure_string": "Ca1 Re1 Bi1\n1.0\n0.000000 3.378343 3.378343\n3.378343 0.000000 3.378343\n3.378343 3.378343 0.000000\nCa Re Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Re",
"Bi"
],
"chemical_system": "Bi-Ca-Re",
"density": 9.372641905944697,
"density_atomic": 0.03890272615524639,
"volume": 77.11541828786265,
"volume_molar": 15.479996789859571,
"formula_full": "Ca1 Re1 Bi1",
"formula_reduced": "CaReBi",
"formula_anonymous": "ABC",
"energy": -16.08939736,
"energy_per_atom": -5.363132453333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.08939736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1734458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.418000Z",
"spacegroup": 216
},
{
"id": "mp-1097412",
"created_at": "2022-09-04T14:39:29.947030Z",
"structure_string": "Nb1 In1 Co2\n1.0\n-4.569523 5.565258 7.675358\n4.569523 -5.565258 7.675358\n4.569523 5.565258 -7.675358\nNb In Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 In\n0.000000 0.221279 0.221279 Co\n0.000000 0.778721 0.778721 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"In",
"Co"
],
"chemical_system": "Co-In-Nb",
"density": 0.6924786361249413,
"density_atomic": 0.005123245749845243,
"volume": 780.7550516429603,
"volume_molar": 117.5454205018744,
"formula_full": "Nb1 In1 Co2",
"formula_reduced": "NbInCo2",
"formula_anonymous": "ABC2",
"energy": -16.08753142,
"energy_per_atom": -4.021882855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.08753142,
"band_gap": 0.2351000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0003423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.929000Z",
"spacegroup": 71
},
{
"id": "mp-1186421",
"created_at": "2022-09-04T14:48:18.699638Z",
"structure_string": "Pb3 O1\n1.0\n4.671716 0.000000 0.000000\n0.000000 4.671716 0.000000\n0.000000 0.000000 4.671716\nPb O\n3 1\ndirect\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 10.384072138227456,
"density_atomic": 0.03923111853619088,
"volume": 101.9598764768836,
"volume_molar": 15.35041820040015,
"formula_full": "Pb3 O1",
"formula_reduced": "Pb3O",
"formula_anonymous": "AB3",
"energy": -16.08492373,
"energy_per_atom": -4.0212309325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.39792373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:00.800000Z",
"spacegroup": 221
},
{
"id": "mp-1185375",
"created_at": "2022-09-04T14:39:25.762645Z",
"structure_string": "Li1 La1 Au2\n1.0\n0.000000 3.594721 3.594721\n3.594721 0.000000 3.594721\n3.594721 3.594721 0.000000\nLi La Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Au"
],
"chemical_system": "Au-La-Li",
"density": 9.64806029845812,
"density_atomic": 0.043056074247518596,
"volume": 92.90210661113693,
"volume_molar": 13.98673907281983,
"formula_full": "Li1 La1 Au2",
"formula_reduced": "LiLaAu2",
"formula_anonymous": "ABC2",
"energy": -16.08426751,
"energy_per_atom": -4.0210668775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.08426751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.494000Z",
"spacegroup": 225
},
{
"id": "mp-863764",
"created_at": "2022-09-04T14:40:42.741685Z",
"structure_string": "Te2 Br4\n1.0\n8.620130 0.000000 0.000000\n0.000000 8.620130 0.000000\n0.000000 0.000000 3.934635\nTe Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.336618 0.336618 0.000000 Br\n0.663382 0.663382 0.000000 Br\n0.163382 0.836618 0.500000 Br\n0.836618 0.163382 0.500000 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"Br"
],
"chemical_system": "Br-Te",
"density": 3.264719429801853,
"density_atomic": 0.020521975680880124,
"volume": 292.3695112644573,
"volume_molar": 29.344839179449455,
"formula_full": "Te2 Br4",
"formula_reduced": "TeBr2",
"formula_anonymous": "AB2",
"energy": -16.08359153,
"energy_per_atom": -2.6805985883333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.94759153,
"band_gap": 0.6717,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0012695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.411000Z",
"spacegroup": 136
}
]
}