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=-formula_full&page=160",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=158",
"results": [
{
"id": "mp-1188159",
"created_at": "2022-09-04T14:46:18.783735Z",
"structure_string": "Zr10 Cu2 Bi6\n1.0\n4.418742 -7.653486 0.000000\n4.418742 7.653486 0.000000\n0.000000 0.000000 5.921469\nZr Cu Bi\n10 2 6\ndirect\n0.738599 0.000000 0.250000 Zr\n0.000000 0.738599 0.250000 Zr\n0.261401 0.261401 0.250000 Zr\n0.261401 0.000000 0.750000 Zr\n0.000000 0.261401 0.750000 Zr\n0.738599 0.738599 0.750000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.384624 0.000000 0.250000 Bi\n0.000000 0.384624 0.250000 Bi\n0.615376 0.615376 0.250000 Bi\n0.615376 0.000000 0.750000 Bi\n0.000000 0.615376 0.750000 Bi\n0.384624 0.384624 0.750000 Bi\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Zr",
"density": 9.50771959838015,
"density_atomic": 0.04494228116922553,
"volume": 400.51371518554777,
"volume_molar": 13.399722050877322,
"formula_full": "Zr10 Cu2 Bi6",
"formula_reduced": "Zr5CuBi3",
"formula_anonymous": "AB3C5",
"energy": -124.11332376,
"energy_per_atom": -6.895184653333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.11332376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0222166,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.727000Z",
"spacegroup": 193
},
{
"id": "mp-1207417",
"created_at": "2022-09-04T14:40:10.252595Z",
"structure_string": "Zr10 Cr2 Sb4\n1.0\n0.000000 0.000000 5.573092\n-5.578923 5.578923 2.786545\n-5.578923 -5.578923 2.786545\nZr Cr Sb\n10 2 4\ndirect\n0.072519 0.130128 0.724835 Zr\n0.927481 0.869872 0.275165 Zr\n0.797354 0.275165 0.130128 Zr\n0.427481 0.275165 0.869872 Zr\n0.202646 0.724835 0.869872 Zr\n0.572519 0.724835 0.130128 Zr\n0.702646 0.869872 0.724835 Zr\n0.297354 0.130128 0.275165 Zr\n0.250000 0.500000 0.500000 Zr\n0.750000 0.500000 0.500000 Zr\n0.250000 0.000000 0.000000 Cr\n0.750000 0.000000 0.000000 Cr\n0.163238 0.500000 0.173523 Sb\n0.836762 0.500000 0.826477 Sb\n0.336762 0.826477 0.500000 Sb\n0.663238 0.173523 0.500000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"Sb"
],
"chemical_system": "Cr-Sb-Zr",
"density": 7.195480173219068,
"density_atomic": 0.04612039730810066,
"volume": 346.91808687410713,
"volume_molar": 13.057434695911136,
"formula_full": "Zr10 Cr2 Sb4",
"formula_reduced": "Zr5CrSb2",
"formula_anonymous": "AB2C5",
"energy": -129.59096801,
"energy_per_atom": -8.099435500625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.82296801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.539000Z",
"spacegroup": 140
},
{
"id": "mp-1215707",
"created_at": "2022-09-04T14:39:06.669434Z",
"structure_string": "Zr10 Cr1 Sb5\n1.0\n0.000000 0.000000 5.583447\n-5.616245 5.616245 2.791724\n-5.616245 -5.616245 -2.791724\nZr Cr Sb\n10 1 5\ndirect\n0.411308 0.863548 0.709816 Zr\n0.565040 0.136452 0.290184 Zr\n0.934960 0.290184 0.136452 Zr\n0.088692 0.709816 0.863548 Zr\n0.701492 0.709816 0.136452 Zr\n0.274856 0.290184 0.863548 Zr\n0.798508 0.136452 0.709816 Zr\n0.225144 0.863548 0.290184 Zr\n0.250000 0.500000 0.500000 Zr\n0.750000 0.500000 0.500000 Zr\n0.250000 0.000000 0.000000 Cr\n0.336794 0.500000 0.173588 Sb\n0.663206 0.500000 0.826412 Sb\n0.836794 0.826412 0.500000 Sb\n0.163206 0.173588 0.500000 Sb\n0.750000 0.000000 0.000000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"Sb"
],
"chemical_system": "Cr-Sb-Zr",
"density": 7.415890410542888,
"density_atomic": 0.04542505889440868,
"volume": 352.22849214554174,
"volume_molar": 13.257309746143793,
"formula_full": "Zr10 Cr1 Sb5",
"formula_reduced": "Zr10CrSb5",
"formula_anonymous": "AB5C10",
"energy": -126.09100419,
"energy_per_atom": -7.880687761875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.13100419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1453236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.614000Z",
"spacegroup": 97
},
{
"id": "mp-1207404",
"created_at": "2022-09-04T14:42:03.635357Z",
"structure_string": "Zr10 Co2 Sb6\n1.0\n0.000000 0.000000 -5.790114\n-4.324356 -7.490003 0.000000\n-4.324356 7.490003 0.000000\nZr Co Sb\n10 2 6\ndirect\n0.750000 0.749870 0.749870 Zr\n0.250000 0.250130 0.250130 Zr\n0.750000 0.000000 0.250130 Zr\n0.250000 0.000000 0.749870 Zr\n0.750000 0.250130 0.000000 Zr\n0.250000 0.749870 0.000000 Zr\n0.000000 0.666667 0.333333 Zr\n0.000000 0.333333 0.666667 Zr\n0.500000 0.333333 0.666667 Zr\n0.500000 0.666667 0.333333 Zr\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.750000 0.390177 0.390177 Sb\n0.250000 0.609823 0.609823 Sb\n0.750000 0.000000 0.609823 Sb\n0.250000 0.000000 0.390177 Sb\n0.750000 0.609823 0.000000 Sb\n0.250000 0.390177 0.000000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Sb"
],
"chemical_system": "Co-Sb-Zr",
"density": 7.79481172506741,
"density_atomic": 0.04799013409922444,
"volume": 375.0770931955136,
"volume_molar": 12.548705839305672,
"formula_full": "Zr10 Co2 Sb6",
"formula_reduced": "Zr5CoSb3",
"formula_anonymous": "AB3C5",
"energy": -137.64790422,
"energy_per_atom": -7.6471057899999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.49590422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0166237,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.285000Z",
"spacegroup": 193
},
{
"id": "mp-1207394",
"created_at": "2022-09-04T14:42:25.260664Z",
"structure_string": "Zr10 Cd2 Sb4\n1.0\n0.000000 0.000000 5.621596\n-5.638037 5.638037 2.810798\n-5.638037 -5.638037 2.810798\nZr Cd Sb\n10 2 4\ndirect\n0.250000 0.500000 0.500000 Zr\n0.750000 0.500000 0.500000 Zr\n0.077930 0.146818 0.697322 Zr\n0.922070 0.853182 0.302678 Zr\n0.775252 0.302678 0.146818 Zr\n0.422070 0.302678 0.853182 Zr\n0.224748 0.697322 0.853182 Zr\n0.577930 0.697322 0.146818 Zr\n0.724748 0.853182 0.697322 Zr\n0.275252 0.146818 0.302678 Zr\n0.250000 0.000000 0.000000 Cd\n0.750000 0.000000 0.000000 Cd\n0.163865 0.500000 0.172270 Sb\n0.836135 0.500000 0.827730 Sb\n0.336135 0.827730 0.500000 Sb\n0.663865 0.172270 0.500000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Cd",
"Sb"
],
"chemical_system": "Cd-Sb-Zr",
"density": 7.546002212336317,
"density_atomic": 0.04476870296438512,
"volume": 357.3925296144606,
"volume_molar": 13.45167574944219,
"formula_full": "Zr10 Cd2 Sb4",
"formula_reduced": "Zr5CdSb2",
"formula_anonymous": "AB2C5",
"energy": -112.79323046,
"energy_per_atom": -7.04957690375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.02523046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.701000Z",
"spacegroup": 140
},
{
"id": "mp-1189916",
"created_at": "2022-09-04T14:44:54.935783Z",
"structure_string": "Zr10 Cd2 Pb6\n1.0\n4.461065 -7.726791 0.000000\n4.461065 7.726791 0.000000\n0.000000 0.000000 6.045763\nZr Cd Pb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.720891 0.720891 0.750000 Zr\n0.279109 0.000000 0.750000 Zr\n0.000000 0.279109 0.750000 Zr\n0.279109 0.279109 0.250000 Zr\n0.720891 0.000000 0.250000 Zr\n0.000000 0.720891 0.250000 Zr\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.379925 0.379925 0.750000 Pb\n0.620075 0.000000 0.750000 Pb\n0.000000 0.620075 0.750000 Pb\n0.620075 0.620075 0.250000 Pb\n0.379925 0.000000 0.250000 Pb\n0.000000 0.379925 0.250000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb-Zr",
"density": 9.48320262819679,
"density_atomic": 0.043187063434281484,
"volume": 416.7914780172752,
"volume_molar": 13.944316378824873,
"formula_full": "Zr10 Cd2 Pb6",
"formula_reduced": "Zr5CdPb3",
"formula_anonymous": "AB3C5",
"energy": -114.07613692,
"energy_per_atom": -6.337563162222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.07613692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020045,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.901000Z",
"spacegroup": 193
},
{
"id": "mp-1207392",
"created_at": "2022-09-04T14:40:56.853193Z",
"structure_string": "Zr10 Bi6\n1.0\n0.000000 0.000000 -5.896375\n-4.366137 -7.562370 0.000000\n-4.366137 7.562370 0.000000\nZr Bi\n10 6\ndirect\n0.000000 0.666667 0.333333 Zr\n0.000000 0.333333 0.666667 Zr\n0.500000 0.333333 0.666667 Zr\n0.500000 0.666667 0.333333 Zr\n0.750000 0.745332 0.745332 Zr\n0.250000 0.254668 0.254668 Zr\n0.750000 0.000000 0.254668 Zr\n0.250000 0.000000 0.745332 Zr\n0.750000 0.254668 0.000000 Zr\n0.250000 0.745332 0.000000 Zr\n0.750000 0.385606 0.385606 Bi\n0.250000 0.614394 0.614394 Bi\n0.750000 0.000000 0.614394 Bi\n0.250000 0.000000 0.385606 Bi\n0.750000 0.614394 0.000000 Bi\n0.250000 0.385606 0.000000 Bi\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Bi"
],
"chemical_system": "Bi-Zr",
"density": 9.237654567650122,
"density_atomic": 0.04109127433823364,
"volume": 389.377069893223,
"volume_molar": 14.655522022583419,
"formula_full": "Zr10 Bi6",
"formula_reduced": "Zr5Bi3",
"formula_anonymous": "A3B5",
"energy": -113.62733991,
"energy_per_atom": -7.101708744375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.62733991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1519497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.997000Z",
"spacegroup": 193
},
{
"id": "mp-669436",
"created_at": "2022-09-04T14:45:04.852634Z",
"structure_string": "Zr10 As10 Pd10\n1.0\n3.961421 0.000000 0.000000\n0.000000 6.776493 0.000000\n0.000000 0.000000 19.686467\nZr As Pd\n10 10 10\ndirect\n0.500000 0.968652 0.680723 Zr\n0.000000 0.155039 0.000000 Zr\n0.000000 0.544504 0.877867 Zr\n0.500000 0.455496 0.377867 Zr\n0.500000 0.455496 0.622133 Zr\n0.000000 0.544504 0.122133 Zr\n0.000000 0.031348 0.180723 Zr\n0.500000 0.844961 0.500000 Zr\n0.000000 0.031348 0.819277 Zr\n0.500000 0.968652 0.319277 Zr\n0.000000 0.753701 0.401055 As\n0.500000 0.252866 0.500000 As\n0.500000 0.246299 0.098945 As\n0.000000 0.255663 0.302321 As\n0.500000 0.744337 0.197679 As\n0.500000 0.744337 0.802321 As\n0.500000 0.246299 0.901055 As\n0.000000 0.747134 0.000000 As\n0.000000 0.255663 0.697679 As\n0.000000 0.753701 0.598945 As\n0.000000 0.119121 0.424122 Pd\n0.500000 0.353872 0.222807 Pd\n0.500000 0.488725 0.000000 Pd\n0.500000 0.353872 0.777193 Pd\n0.000000 0.646128 0.277193 Pd\n0.000000 0.646128 0.722807 Pd\n0.500000 0.880879 0.075878 Pd\n0.500000 0.880879 0.924122 Pd\n0.000000 0.119121 0.575878 Pd\n0.000000 0.511275 0.500000 Pd\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Zr",
"As",
"Pd"
],
"chemical_system": "As-Pd-Zr",
"density": 8.564388589765354,
"density_atomic": 0.05676720058810988,
"volume": 528.4741838455853,
"volume_molar": 10.608486410480777,
"formula_full": "Zr10 As10 Pd10",
"formula_reduced": "ZrAsPd",
"formula_anonymous": "ABC",
"energy": -211.43673255,
"energy_per_atom": -7.047891085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.43673255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.078818,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.982000Z",
"spacegroup": 59
},
{
"id": "mp-570774",
"created_at": "2022-09-04T14:44:17.088296Z",
"structure_string": "Zr10 Al8\n1.0\n4.234865 -7.335001 0.000000\n4.234865 7.335001 0.000000\n0.000000 0.000000 5.800040\nZr Al\n10 8\ndirect\n0.289643 0.289643 0.750000 Zr\n0.000000 0.710357 0.750000 Zr\n0.000000 0.289643 0.250000 Zr\n0.710357 0.000000 0.750000 Zr\n0.333333 0.666667 0.500000 Zr\n0.710357 0.710357 0.250000 Zr\n0.289643 0.000000 0.250000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.000000 0.629511 0.250000 Al\n0.370489 0.370489 0.250000 Al\n0.629511 0.000000 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.370489 0.000000 0.750000 Al\n0.629511 0.629511 0.750000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.370489 0.750000 Al\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 5.198679018286301,
"density_atomic": 0.049954172939039955,
"volume": 360.3302575335548,
"volume_molar": 12.055330727522877,
"formula_full": "Zr10 Al8",
"formula_reduced": "Zr5Al4",
"formula_anonymous": "A4B5",
"energy": -122.97385745,
"energy_per_atom": -6.831880969444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.97385745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3690364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.198000Z",
"spacegroup": 193
},
{
"id": "mp-1215691",
"created_at": "2022-09-04T14:40:18.288859Z",
"structure_string": "Zr10 Al6 O1\n1.0\n4.141242 -7.172842 0.000000\n4.141242 7.172842 0.000000\n0.000000 0.000000 5.587199\nZr Al O\n10 6 1\ndirect\n0.000000 0.767235 0.252017 Zr\n0.232765 0.232765 0.252017 Zr\n0.767235 0.000000 0.252017 Zr\n0.000000 0.232765 0.747983 Zr\n0.767235 0.767235 0.747983 Zr\n0.232765 0.000000 0.747983 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.000000 0.398489 0.246505 Al\n0.601511 0.601511 0.246505 Al\n0.398489 0.000000 0.246505 Al\n0.000000 0.601511 0.753495 Al\n0.398489 0.398489 0.753495 Al\n0.601511 0.000000 0.753495 Al\n0.000000 0.000000 0.500000 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Zr",
"Al",
"O"
],
"chemical_system": "Al-O-Zr",
"density": 5.453569268502735,
"density_atomic": 0.051215676229158805,
"volume": 331.9296209999338,
"volume_molar": 11.758393529853254,
"formula_full": "Zr10 Al6 O1",
"formula_reduced": "Zr10Al6O",
"formula_anonymous": "AB6C10",
"energy": -124.85502783,
"energy_per_atom": -7.344413401764705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.16802783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0319635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.583000Z",
"spacegroup": 162
},
{
"id": "mp-1207406",
"created_at": "2022-09-04T14:44:21.444260Z",
"structure_string": "Zr10 Al6 N2\n1.0\n4.122796 -7.140891 0.000000\n4.122796 7.140891 0.000000\n0.000000 0.000000 5.689715\nZr Al N\n10 6 2\ndirect\n0.223194 0.000000 0.250000 Zr\n0.776806 0.000000 0.750000 Zr\n0.000000 0.223194 0.250000 Zr\n0.000000 0.776806 0.750000 Zr\n0.776806 0.776806 0.250000 Zr\n0.223194 0.223194 0.750000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.596802 0.000000 0.250000 Al\n0.403198 0.000000 0.750000 Al\n0.000000 0.596802 0.250000 Al\n0.000000 0.403198 0.750000 Al\n0.403198 0.403198 0.250000 Al\n0.596802 0.596802 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Al",
"N"
],
"chemical_system": "Al-N-Zr",
"density": 5.462886033383731,
"density_atomic": 0.05372887491201813,
"volume": 335.01539031806044,
"volume_molar": 11.208387984787228,
"formula_full": "Zr10 Al6 N2",
"formula_reduced": "Zr5Al3N",
"formula_anonymous": "AB3C5",
"energy": -138.16835289,
"energy_per_atom": -7.676019605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.44635289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.049000Z",
"spacegroup": 193
},
{
"id": "mp-972176",
"created_at": "2022-09-04T14:41:51.253513Z",
"structure_string": "Zr10 Al6 C2\n1.0\n4.169262 -7.221374 0.000000\n4.169262 7.221374 0.000000\n0.000000 0.000000 5.624511\nZr Al C\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.223860 0.000000 0.250000 Zr\n0.000000 0.223860 0.250000 Zr\n0.776140 0.776140 0.250000 Zr\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.776140 0.000000 0.750000 Zr\n0.000000 0.776140 0.750000 Zr\n0.223860 0.223860 0.750000 Zr\n0.599838 0.000000 0.250000 Al\n0.000000 0.599838 0.250000 Al\n0.400162 0.400162 0.250000 Al\n0.400162 0.000000 0.750000 Al\n0.000000 0.400162 0.750000 Al\n0.599838 0.599838 0.750000 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Al",
"C"
],
"chemical_system": "Al-C-Zr",
"density": 5.384150879872501,
"density_atomic": 0.053146994947441815,
"volume": 338.6833068887635,
"volume_molar": 11.331103039702286,
"formula_full": "Zr10 Al6 C2",
"formula_reduced": "Zr5Al3C",
"formula_anonymous": "AB3C5",
"energy": -135.48136771,
"energy_per_atom": -7.526742650555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.48136771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056948,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.107000Z",
"spacegroup": 193
}
]
}