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=12171",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12169",
"results": [
{
"id": "mp-1708",
"created_at": "2022-09-04T14:41:17.620659Z",
"structure_string": "Y1 Te1\n1.0\n0.000000 3.089431 3.089431\n3.089431 0.000000 3.089431\n3.089431 3.089431 0.000000\nY Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Te"
],
"chemical_system": "Te-Y",
"density": 6.096116208001313,
"density_atomic": 0.033912866471356884,
"volume": 58.974666788760494,
"volume_molar": 17.75768723380064,
"formula_full": "Y1 Te1",
"formula_reduced": "YTe",
"formula_anonymous": "AB",
"energy": -12.64709201,
"energy_per_atom": -6.323546005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.22509201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.462000Z",
"spacegroup": 225
},
{
"id": "mp-1207735",
"created_at": "2022-09-04T14:41:28.885577Z",
"structure_string": "Y32 Te12\n1.0\n2.037813 15.678405 0.000000\n-2.037813 15.678405 0.000000\n0.000000 13.320064 20.661595\nY Te\n32 12\ndirect\n0.489480 0.489480 0.432440 Y\n0.510520 0.510520 0.567560 Y\n0.666455 0.666455 0.154910 Y\n0.333545 0.333545 0.845090 Y\n0.792060 0.792060 0.132594 Y\n0.207940 0.207940 0.867406 Y\n0.126026 0.126026 0.067736 Y\n0.873974 0.873974 0.932264 Y\n0.803102 0.803102 0.750733 Y\n0.196898 0.196898 0.249267 Y\n0.935117 0.935117 0.056192 Y\n0.064883 0.064883 0.943808 Y\n0.908367 0.908367 0.411425 Y\n0.091633 0.091633 0.588575 Y\n0.829228 0.829228 0.340821 Y\n0.170772 0.170772 0.659179 Y\n0.780397 0.780397 0.605178 Y\n0.219603 0.219603 0.394822 Y\n0.920220 0.920220 0.573348 Y\n0.079780 0.079780 0.426652 Y\n0.265301 0.265301 0.038765 Y\n0.734699 0.734699 0.961235 Y\n0.953538 0.953538 0.720155 Y\n0.046462 0.046462 0.279845 Y\n0.700974 0.700974 0.529420 Y\n0.299026 0.299026 0.470580 Y\n0.348887 0.348887 0.198673 Y\n0.651113 0.651113 0.801327 Y\n0.509208 0.509208 0.089553 Y\n0.490792 0.490792 0.910447 Y\n0.439949 0.439949 0.282052 Y\n0.560051 0.560051 0.717948 Y\n0.629896 0.629896 0.472182 Te\n0.370104 0.370104 0.527818 Te\n0.372339 0.372339 0.030619 Te\n0.627661 0.627661 0.969381 Te\n0.928276 0.928276 0.192155 Te\n0.071724 0.071724 0.807845 Te\n0.554868 0.554868 0.176678 Te\n0.445132 0.445132 0.823322 Te\n0.605843 0.605843 0.313520 Te\n0.394157 0.394157 0.686480 Te\n0.758716 0.758716 0.280145 Te\n0.241284 0.241284 0.719855 Te\n",
"nsites": 44,
"nelements": 2,
"elements": [
"Y",
"Te"
],
"chemical_system": "Te-Y",
"density": 5.504082585642282,
"density_atomic": 0.03332672432892539,
"volume": 1320.2617684754248,
"volume_molar": 18.070005022285315,
"formula_full": "Y32 Te12",
"formula_reduced": "Y8Te3",
"formula_anonymous": "A3B8",
"energy": -281.84432238,
"energy_per_atom": -6.405552781363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.78032238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1230597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.658000Z",
"spacegroup": 12
},
{
"id": "mp-1077365",
"created_at": "2022-09-04T14:43:24.816904Z",
"structure_string": "Y2 Te4\n1.0\n4.451698 0.000000 0.000000\n0.000000 4.451698 0.000000\n0.000000 0.000000 8.916087\nY Te\n2 4\ndirect\n0.000000 0.500000 0.728793 Y\n0.500000 0.000000 0.271207 Y\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.370092 Te\n0.500000 0.000000 0.629908 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Te"
],
"chemical_system": "Te-Y",
"density": 6.467634405766136,
"density_atomic": 0.03395670674230261,
"volume": 176.69558021435913,
"volume_molar": 17.734760928679027,
"formula_full": "Y2 Te4",
"formula_reduced": "YTe2",
"formula_anonymous": "AB2",
"energy": -34.153885280000004,
"energy_per_atom": -5.692314213333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.46588528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001026,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.920000Z",
"spacegroup": 129
},
{
"id": "mp-945077",
"created_at": "2022-09-04T14:46:41.461987Z",
"structure_string": "Y2 Te6\n1.0\n2.173259 -13.019268 0.000000\n2.173259 13.019268 0.000000\n0.000000 0.000000 4.347122\nY Te\n2 6\ndirect\n0.169669 0.830331 0.750000 Y\n0.830331 0.169669 0.250000 Y\n0.925602 0.074398 0.750000 Te\n0.074398 0.925602 0.250000 Te\n0.574504 0.425496 0.750000 Te\n0.425496 0.574504 0.250000 Te\n0.293482 0.706518 0.750000 Te\n0.706518 0.293482 0.250000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Te"
],
"chemical_system": "Te-Y",
"density": 6.368255470249609,
"density_atomic": 0.032520716756628106,
"volume": 245.99703813014838,
"volume_molar": 18.51785987703551,
"formula_full": "Y2 Te6",
"formula_reduced": "YTe3",
"formula_anonymous": "AB3",
"energy": -41.7897746,
"energy_per_atom": -5.223721825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.2577746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.909000Z",
"spacegroup": 63
},
{
"id": "mp-1207306",
"created_at": "2022-09-04T14:45:43.360242Z",
"structure_string": "Y2 Te3\n1.0\n9.695307 0.000000 0.000000\n0.000000 9.695307 0.000000\n0.000000 0.000000 35.546450\nY Te\n2 3\ndirect\n0.500000 0.500000 0.284118 Y\n0.500000 0.500000 0.715882 Y\n0.500000 0.500000 0.641973 Te\n0.500000 0.500000 0.358027 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Y",
"Te"
],
"chemical_system": "Te-Y",
"density": 0.27860691362902046,
"density_atomic": 0.0014964101276899314,
"volume": 3341.329965280776,
"volume_molar": 402.4391875305349,
"formula_full": "Y2 Te3",
"formula_reduced": "Y2Te3",
"formula_anonymous": "A2B3",
"energy": -16.709909160000002,
"energy_per_atom": -3.3419818320000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.44390916,
"band_gap": 0.3638999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0178623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.322000Z",
"spacegroup": 123
},
{
"id": "mp-1189945",
"created_at": "2022-09-04T14:46:06.665736Z",
"structure_string": "Yb8 Te12\n1.0\n0.000000 6.245738 13.058695\n4.474316 0.000000 13.058695\n4.474316 6.245738 0.000000\nYb Te\n8 12\ndirect\n0.333738 0.333738 0.166262 Yb\n0.166262 0.166262 0.333738 Yb\n0.916262 0.916262 0.083738 Yb\n0.083738 0.083738 0.916262 Yb\n0.998170 0.998170 0.501830 Yb\n0.501830 0.501830 0.998170 Yb\n0.251830 0.251830 0.748170 Yb\n0.748170 0.748170 0.251830 Yb\n0.991252 0.508748 0.508748 Te\n0.508748 0.991252 0.991252 Te\n0.258748 0.741252 0.741252 Te\n0.741252 0.258748 0.258748 Te\n0.664573 0.167362 0.831028 Te\n0.831028 0.337037 0.664573 Te\n0.337037 0.831028 0.167362 Te\n0.167362 0.664573 0.337037 Te\n0.585427 0.082638 0.418972 Te\n0.418972 0.912963 0.585427 Te\n0.912963 0.418972 0.082638 Te\n0.082638 0.585427 0.912963 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 6.633228116423365,
"density_atomic": 0.027402476007090153,
"volume": 729.8610532429688,
"volume_molar": 21.97662998935506,
"formula_full": "Yb8 Te12",
"formula_reduced": "Yb2Te3",
"formula_anonymous": "A2B3",
"energy": -74.01667648,
"energy_per_atom": -3.700833824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.95267648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0123415,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.221000Z",
"spacegroup": 70
},
{
"id": "mp-1077459",
"created_at": "2022-09-04T14:43:07.171170Z",
"structure_string": "Yb2 Te4\n1.0\n4.381886 0.000000 0.000000\n0.000000 4.381886 0.000000\n0.000000 0.000000 9.481903\nYb Te\n2 4\ndirect\n0.000000 0.500000 0.712603 Yb\n0.500000 0.000000 0.287397 Yb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.367854 Te\n0.500000 0.000000 0.632146 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 7.811755933860036,
"density_atomic": 0.03295593160334925,
"volume": 182.06130757323913,
"volume_molar": 18.273313685928333,
"formula_full": "Yb2 Te4",
"formula_reduced": "YbTe2",
"formula_anonymous": "AB2",
"energy": -23.2830569,
"energy_per_atom": -3.880509483333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.5950569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.712000Z",
"spacegroup": 129
},
{
"id": "mp-1779",
"created_at": "2022-09-04T14:43:57.333554Z",
"structure_string": "Yb1 Te1\n1.0\n0.000000 3.180275 3.180275\n3.180275 0.000000 3.180275\n3.180275 3.180275 0.000000\nYb Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 7.760180781831621,
"density_atomic": 0.031088944257175868,
"volume": 64.33155090296658,
"volume_molar": 19.37068274233849,
"formula_full": "Yb1 Te1",
"formula_reduced": "YbTe",
"formula_anonymous": "AB",
"energy": -8.43605007,
"energy_per_atom": -4.218025035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01405007,
"band_gap": 1.4678,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.980000Z",
"spacegroup": 225
},
{
"id": "mp-1206896",
"created_at": "2022-09-04T14:47:26.869649Z",
"structure_string": "Yb2 Te3\n1.0\n11.081441 0.000000 0.000000\n0.000000 11.081441 0.000000\n0.000000 0.000000 34.794682\nYb Te\n2 3\ndirect\n0.500000 0.500000 0.282546 Yb\n0.500000 0.500000 0.717454 Yb\n0.500000 0.500000 0.640275 Te\n0.500000 0.500000 0.359725 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 0.2832694780748558,
"density_atomic": 0.0011702122918505339,
"volume": 4272.729003805942,
"volume_molar": 514.6195098050792,
"formula_full": "Yb2 Te3",
"formula_reduced": "Yb2Te3",
"formula_anonymous": "A2B3",
"energy": -8.77818708,
"energy_per_atom": -1.7556374160000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.51218708,
"band_gap": 0.0943000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0000457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.628000Z",
"spacegroup": 123
},
{
"id": "mp-571195",
"created_at": "2022-09-04T14:41:19.907477Z",
"structure_string": "Zn3 Te3\n1.0\n2.186317 -3.786812 0.000000\n2.186317 3.786812 0.000000\n0.000000 0.000000 10.704962\nZn Te\n3 3\ndirect\n0.660588 0.639363 0.693165 Zn\n0.978775 0.339412 0.359832 Zn\n0.360637 0.021225 0.026499 Zn\n0.647043 0.670733 0.443502 Te\n0.329267 0.976309 0.776835 Te\n0.023691 0.352957 0.110168 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.424327600796479,
"density_atomic": 0.03384926542455344,
"volume": 177.2564315575293,
"volume_molar": 17.791053024245794,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -17.291991940000003,
"energy_per_atom": -2.881998656666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.02599194,
"band_gap": 1.069,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010231,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.167000Z",
"spacegroup": 144
},
{
"id": "mp-8884",
"created_at": "2022-09-04T14:46:11.043267Z",
"structure_string": "Zn2 Te2\n1.0\n2.182745 -3.780624 0.000000\n2.182745 3.780624 0.000000\n0.000000 0.000000 7.179232\nZn Te\n2 2\ndirect\n0.333333 0.666667 0.000482 Zn\n0.666667 0.333333 0.500482 Zn\n0.333333 0.666667 0.374518 Te\n0.666667 0.333333 0.874518 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.4098121015761915,
"density_atomic": 0.03375868479925986,
"volume": 118.4880283039847,
"volume_molar": 17.838789620536502,
"formula_full": "Zn2 Te2",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -11.52174411,
"energy_per_atom": -2.8804360275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.67774411,
"band_gap": 1.1002999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.546000Z",
"spacegroup": 186
},
{
"id": "mp-2176",
"created_at": "2022-09-04T14:46:20.658655Z",
"structure_string": "Zn1 Te1\n1.0\n0.000000 3.092413 3.092413\n3.092413 0.000000 3.092413\n3.092413 3.092413 0.000000\nZn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.4188133427036975,
"density_atomic": 0.03381485496863358,
"volume": 59.14560337032898,
"volume_molar": 17.809157441562576,
"formula_full": "Zn1 Te1",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -5.7713586,
"energy_per_atom": -2.8856793,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.3493586,
"band_gap": 1.0732999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.789000Z",
"spacegroup": 216
}
]
}