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=chemical_system&page=78",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=76",
"results": [
{
"id": "mp-1229130",
"created_at": "2022-09-04T14:42:11.628326Z",
"structure_string": "Ag2 Bi2 Se1 S3\n1.0\n-2.824725 2.890686 5.785393\n2.824725 -2.890686 5.785393\n2.824725 2.890686 -5.785393\nAg Bi Se S\n2 2 1 3\ndirect\n0.995668 0.995668 0.000000 Ag\n0.250199 0.750199 0.500000 Ag\n0.505892 0.505892 0.000000 Bi\n0.751841 0.251841 0.500000 Bi\n0.248087 0.248087 0.000000 Se\n0.505443 0.005443 0.500000 S\n0.747321 0.747321 0.000000 S\n0.995549 0.495549 0.500000 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Se",
"S"
],
"chemical_system": "Ag-Bi-S-Se",
"density": 7.108014722541554,
"density_atomic": 0.04233699575580333,
"volume": 188.96003028045283,
"volume_molar": 14.224298754534363,
"formula_full": "Ag2 Bi2 Se1 S3",
"formula_reduced": "Ag2Bi2SeS3",
"formula_anonymous": "AB2C2D3",
"energy": -32.89115175,
"energy_per_atom": -4.11139396875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.91015175,
"band_gap": 0.1889999999999991,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.371000Z",
"spacegroup": 44
},
{
"id": "mp-1229127",
"created_at": "2022-09-04T14:46:31.134332Z",
"structure_string": "Ag2 Sn1 Bi1 S4\n1.0\n-2.786367 2.786367 5.661030\n2.786367 -2.786367 5.661030\n2.786367 2.786367 -5.661030\nAg Sn Bi S\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Bi\n0.498933 0.998933 0.500000 S\n0.246519 0.246519 0.000000 S\n0.001067 0.501067 0.500000 S\n0.753481 0.753481 0.000000 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"Bi",
"S"
],
"chemical_system": "Ag-Bi-S-Sn",
"density": 6.3443016998082555,
"density_atomic": 0.045504872655953175,
"volume": 175.80534859388075,
"volume_molar": 13.234056944915224,
"formula_full": "Ag2 Sn1 Bi1 S4",
"formula_reduced": "Ag2SnBiS4",
"formula_anonymous": "ABC2D4",
"energy": -33.81103633,
"energy_per_atom": -4.22637954125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.79903633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.461000Z",
"spacegroup": 119
},
{
"id": "mp-1182952",
"created_at": "2022-09-04T14:41:46.844589Z",
"structure_string": "Ag3 Bi3 Te6\n1.0\n2.222905 -3.850185 0.000000\n2.222905 3.850185 0.000000\n0.000000 0.000000 20.961597\nAg Bi Te\n3 3 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333333 0.330579 Ag\n0.333333 0.666667 0.669421 Ag\n0.000000 0.000000 0.500000 Bi\n0.666667 0.333333 0.835193 Bi\n0.333333 0.666667 0.164807 Bi\n0.000000 0.000000 0.745837 Te\n0.000000 0.000000 0.254163 Te\n0.666667 0.333333 0.075625 Te\n0.333333 0.666667 0.924375 Te\n0.666667 0.333333 0.590319 Te\n0.333333 0.666667 0.409681 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Te"
],
"chemical_system": "Ag-Bi-Te",
"density": 7.942302352568839,
"density_atomic": 0.03344447499193433,
"volume": 358.8036589868429,
"volume_molar": 18.006384496848394,
"formula_full": "Ag3 Bi3 Te6",
"formula_reduced": "AgBiTe2",
"formula_anonymous": "ABC2",
"energy": -43.37960008,
"energy_per_atom": -3.6149666733333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.84760008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.102000Z",
"spacegroup": 164
},
{
"id": "mp-29656",
"created_at": "2022-09-04T14:40:56.652395Z",
"structure_string": "Ag1 Bi1 Te2\n1.0\n7.152074 -2.218817 0.000000\n7.152074 2.218817 0.000000\n6.463722 0.000000 3.780954\nAg Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Bi\n0.255844 0.255844 0.255844 Te\n0.744156 0.744156 0.744156 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Te"
],
"chemical_system": "Ag-Bi-Te",
"density": 7.915842621900202,
"density_atomic": 0.03333305493244058,
"volume": 120.00100225158477,
"volume_molar": 18.06657317250301,
"formula_full": "Ag1 Bi1 Te2",
"formula_reduced": "AgBiTe2",
"formula_anonymous": "ABC2",
"energy": -14.39205347,
"energy_per_atom": -3.5980133675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.54805347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008562,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.117000Z",
"spacegroup": 166
},
{
"id": "mp-1206226",
"created_at": "2022-09-04T14:40:16.713893Z",
"structure_string": "Ag1 Bi3 Te6\n1.0\n-5.906626 -10.230575 0.000000\n-5.481141 9.984922 0.000000\n0.000000 0.000000 -58.248389\nAg Bi Te\n1 3 6\ndirect\n0.000000 -0.000000 0.000000 Ag\n0.000000 -0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 -0.000000 0.768996 Te\n0.000000 -0.000000 0.231004 Te\n0.752544 0.752340 -0.000000 Te\n0.247456 0.247660 0.000000 Te\n0.000204 0.247660 -0.000000 Te\n0.999796 0.752340 0.000000 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Te"
],
"chemical_system": "Ag-Bi-Te",
"density": 0.3717741440146665,
"density_atomic": 0.0014921768864941403,
"volume": 6701.618347336108,
"volume_molar": 403.5808900745661,
"formula_full": "Ag1 Bi3 Te6",
"formula_reduced": "Ag(BiTe2)3",
"formula_anonymous": "AB3C6",
"energy": -24.477988880000005,
"energy_per_atom": -2.4477988880000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.94598888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.415589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.207000Z",
"spacegroup": 65
},
{
"id": "mp-570549",
"created_at": "2022-09-04T14:48:24.969112Z",
"structure_string": "Ag3 Bi3 Te6\n1.0\n2.211399 -3.830256 0.000000\n2.211399 3.830256 0.000000\n0.000000 0.000000 21.394253\nAg Bi Te\n3 3 6\ndirect\n0.666667 0.333333 0.361739 Ag\n0.333333 0.666667 0.638261 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.189079 Bi\n0.666667 0.333333 0.810921 Bi\n0.000000 0.000000 0.000000 Bi\n0.666667 0.333333 0.087825 Te\n0.333333 0.666667 0.912175 Te\n0.666667 0.333333 0.579824 Te\n0.333333 0.666667 0.420176 Te\n0.000000 0.000000 0.271779 Te\n0.000000 0.000000 0.728221 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Te"
],
"chemical_system": "Ag-Bi-Te",
"density": 7.862872724998528,
"density_atomic": 0.0331100024328489,
"volume": 362.4282427745952,
"volume_molar": 18.188282444900544,
"formula_full": "Ag3 Bi3 Te6",
"formula_reduced": "AgBiTe2",
"formula_anonymous": "ABC2",
"energy": -42.42851974,
"energy_per_atom": -3.5357099783333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.89651974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015443,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:38.584000Z",
"spacegroup": 164
},
{
"id": "mp-1229085",
"created_at": "2022-09-04T14:48:17.917021Z",
"structure_string": "Ag1 Bi1 Te2\n1.0\n4.388306 0.000000 0.000000\n0.000000 4.388306 0.000000\n0.000000 0.000000 6.297661\nAg Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Te"
],
"chemical_system": "Ag-Bi-Te",
"density": 7.832653923155901,
"density_atomic": 0.03298275318978965,
"volume": 121.2755035027902,
"volume_molar": 18.258453820841893,
"formula_full": "Ag1 Bi1 Te2",
"formula_reduced": "AgBiTe2",
"formula_anonymous": "ABC2",
"energy": -14.09838182,
"energy_per_atom": -3.524595455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.25438182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.540000Z",
"spacegroup": 123
},
{
"id": "mp-865546",
"created_at": "2022-09-04T14:41:17.290326Z",
"structure_string": "Yb2 Ag1 Bi1\n1.0\n0.000000 3.802550 3.802550\n3.802550 0.000000 3.802550\n3.802550 3.802550 0.000000\nYb Ag Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Yb",
"density": 10.010621878888598,
"density_atomic": 0.03637518373510278,
"volume": 109.96508029016276,
"volume_molar": 16.555629804801544,
"formula_full": "Yb2 Ag1 Bi1",
"formula_reduced": "Yb2AgBi",
"formula_anonymous": "ABC2",
"energy": -12.39711283,
"energy_per_atom": -3.0992782075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.39711283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.75e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.248000Z",
"spacegroup": 225
},
{
"id": "mp-1071555",
"created_at": "2022-09-04T14:43:05.293540Z",
"structure_string": "Yb2 Ag2 Bi2\n1.0\n2.439072 -4.224597 0.000000\n2.439072 4.224597 0.000000\n0.000000 0.000000 7.821337\nYb Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.250813 Yb\n0.000000 0.000000 0.750813 Yb\n0.333333 0.666667 0.431146 Ag\n0.666667 0.333333 0.931146 Ag\n0.333333 0.666667 0.034041 Bi\n0.666667 0.333333 0.534041 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Yb",
"density": 10.093819282887416,
"density_atomic": 0.037224626506040415,
"volume": 161.1836185656929,
"volume_molar": 16.1778406534792,
"formula_full": "Yb2 Ag2 Bi2",
"formula_reduced": "YbAgBi",
"formula_anonymous": "ABC",
"energy": -20.05771258,
"energy_per_atom": -3.3429520966666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.05771258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017428,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.528000Z",
"spacegroup": 186
},
{
"id": "mp-561550",
"created_at": "2022-09-04T14:44:12.422567Z",
"structure_string": "Ag12 B4 O12\n1.0\n5.487920 -4.989531 0.000000\n5.487920 4.989531 0.000000\n0.951517 0.000000 7.355767\nAg B O\n12 4 12\ndirect\n0.874370 0.372016 0.380554 Ag\n0.374370 0.880554 0.872016 Ag\n0.880554 0.872016 0.374370 Ag\n0.627984 0.619446 0.125630 Ag\n0.127984 0.625630 0.119446 Ag\n0.380554 0.874370 0.372016 Ag\n0.619446 0.125630 0.627984 Ag\n0.125630 0.627984 0.619446 Ag\n0.625630 0.119446 0.127984 Ag\n0.872016 0.374370 0.880554 Ag\n0.119446 0.127984 0.625630 Ag\n0.372016 0.380554 0.874370 Ag\n0.624292 0.624292 0.624292 B\n0.375708 0.375708 0.375708 B\n0.124292 0.124292 0.124292 B\n0.875708 0.875708 0.875708 B\n0.130153 0.981809 0.259847 O\n0.981809 0.259847 0.130153 O\n0.630153 0.759847 0.481809 O\n0.369847 0.240153 0.518191 O\n0.018191 0.740153 0.869847 O\n0.240153 0.518191 0.369847 O\n0.759847 0.481809 0.630153 O\n0.740153 0.869847 0.018191 O\n0.518191 0.369847 0.240153 O\n0.869847 0.018191 0.740153 O\n0.481809 0.630153 0.759847 O\n0.259847 0.130153 0.981809 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.305465996175103,
"density_atomic": 0.06950764501604749,
"volume": 402.8333860762443,
"volume_molar": 8.663997692066314,
"formula_full": "Ag12 B4 O12",
"formula_reduced": "Ag3BO3",
"formula_anonymous": "AB3C3",
"energy": -153.8440594,
"energy_per_atom": -5.494430692857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.6000594,
"band_gap": 0.8717000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.667000Z",
"spacegroup": 167
},
{
"id": "mp-1194753",
"created_at": "2022-09-04T14:39:05.985027Z",
"structure_string": "Ag4 B12 O20\n1.0\n3.936234 0.000000 0.000000\n0.000000 8.396854 0.000000\n0.000000 0.000000 10.392312\nAg B O\n4 12 20\ndirect\n0.741746 0.408025 0.579547 Ag\n0.241746 0.591975 0.420453 Ag\n0.241746 0.908025 0.920453 Ag\n0.741746 0.091975 0.079547 Ag\n0.091498 0.247198 0.337565 B\n0.591498 0.752802 0.662435 B\n0.591498 0.747198 0.162435 B\n0.091498 0.252802 0.837565 B\n0.279711 0.960912 0.312700 B\n0.779711 0.039088 0.687300 B\n0.779711 0.460912 0.187300 B\n0.279711 0.539088 0.812700 B\n0.822148 0.899037 0.471059 B\n0.322148 0.100963 0.528941 B\n0.322148 0.399037 0.028941 B\n0.822148 0.600963 0.971059 B\n0.186932 0.245159 0.466521 O\n0.686932 0.754841 0.533479 O\n0.686932 0.745159 0.033479 O\n0.186932 0.254841 0.966521 O\n0.957552 0.390150 0.296206 O\n0.457552 0.609850 0.703794 O\n0.457552 0.890150 0.203794 O\n0.957552 0.109850 0.796206 O\n0.131803 0.112791 0.264848 O\n0.631803 0.887209 0.735152 O\n0.631803 0.612791 0.235152 O\n0.131803 0.387209 0.764848 O\n0.028158 0.855321 0.365435 O\n0.528158 0.144679 0.634565 O\n0.528158 0.355321 0.134565 O\n0.028158 0.644679 0.865435 O\n0.521151 0.007026 0.427422 O\n0.021151 0.992974 0.572578 O\n0.021151 0.507026 0.072578 O\n0.521151 0.492974 0.927422 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 4.260007369645217,
"density_atomic": 0.10480760907150309,
"volume": 343.48651132228053,
"volume_molar": 5.745900334289186,
"formula_full": "Ag4 B12 O20",
"formula_reduced": "AgB3O5",
"formula_anonymous": "AB3C5",
"energy": -276.9181991,
"energy_per_atom": -7.692172197222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.1781991,
"band_gap": 2.3274000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.516000Z",
"spacegroup": 33
},
{
"id": "mp-985292",
"created_at": "2022-09-04T14:46:22.083719Z",
"structure_string": "Ag1 B1 O3\n1.0\n3.483287 0.000000 0.000000\n0.000000 3.483287 0.000000\n0.000000 0.000000 3.483287\nAg B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.548744367105115,
"density_atomic": 0.11830476235408299,
"volume": 42.26372548752631,
"volume_molar": 5.090362078557661,
"formula_full": "Ag1 B1 O3",
"formula_reduced": "AgBO3",
"formula_anonymous": "ABC3",
"energy": -27.09928241,
"energy_per_atom": -5.419856482,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.03828241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9870728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.916000Z",
"spacegroup": 221
}
]
}