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=-elements&page=12134",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12132",
"results": [
{
"id": "mp-611517",
"created_at": "2022-09-04T14:45:53.284052Z",
"structure_string": "Xe1\n1.0\n0.000000 3.330738 3.330738\n3.330738 0.000000 3.330738\n3.330738 3.330738 0.000000\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.950117121282437,
"density_atomic": 0.013531582467449434,
"volume": 73.90118653199103,
"volume_molar": 44.504334762666616,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03039347,
"energy_per_atom": -0.03039347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03039347,
"band_gap": 6.2094,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.257000Z",
"spacegroup": 225
},
{
"id": "mp-1187769",
"created_at": "2022-09-04T14:42:17.607817Z",
"structure_string": "Xe3\n1.0\n11.759570 -2.415816 0.000000\n11.759570 2.415816 0.000000\n11.263279 0.000000 4.154780\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222295 0.222295 0.222295 Xe\n0.777705 0.777705 0.777705 Xe\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.7706304386431087,
"density_atomic": 0.012708313848579412,
"volume": 236.06593571304916,
"volume_molar": 47.387409783503095,
"formula_full": "Xe3",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.1020993,
"energy_per_atom": -0.034033100000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.1020993,
"band_gap": 6.2294,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0023449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.185000Z",
"spacegroup": 166
},
{
"id": "mp-979285",
"created_at": "2022-09-04T14:44:54.025207Z",
"structure_string": "Xe1\n1.0\n-2.947942 2.947942 2.947942\n2.947942 -2.947942 2.947942\n2.947942 2.947942 -2.947942\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.127521091102082,
"density_atomic": 0.00975850310748719,
"volume": 102.47473295702005,
"volume_molar": 61.71172662105858,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03423668,
"energy_per_atom": -0.03423668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03423668,
"band_gap": 6.236800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.647000Z",
"spacegroup": 229
},
{
"id": "mp-1191581",
"created_at": "2022-09-04T14:44:27.151999Z",
"structure_string": "W25\n1.0\n0.000000 -2.633443 0.000000\n-9.067128 0.000000 2.475199\n3.450759 0.000000 -19.878079\nW\n25\ndirect\n0.500000 0.500000 0.000000 W\n0.500000 0.876101 0.920977 W\n0.500000 0.123899 0.079023 W\n0.500000 0.611707 0.391789 W\n0.500000 0.388293 0.608211 W\n0.500000 0.941167 0.803121 W\n0.500000 0.058833 0.196879 W\n0.500000 0.630061 0.764373 W\n0.500000 0.369939 0.235627 W\n0.500000 0.565166 0.882696 W\n0.500000 0.434834 0.117304 W\n0.500000 0.921449 0.428007 W\n0.500000 0.078551 0.571993 W\n0.500000 0.991001 0.311966 W\n0.500000 0.008999 0.688034 W\n0.500000 0.813085 0.039213 W\n0.500000 0.186915 0.960787 W\n0.500000 0.768578 0.534235 W\n0.500000 0.231422 0.465765 W\n0.500000 0.694871 0.646657 W\n0.500000 0.305129 0.353343 W\n0.500000 0.746121 0.155816 W\n0.500000 0.253879 0.844184 W\n0.500000 0.678883 0.273267 W\n0.500000 0.321117 0.726733 W\n",
"nsites": 25,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 16.878956556983074,
"density_atomic": 0.05529125995605104,
"volume": 452.1510274837573,
"volume_molar": 10.891668529143258,
"formula_full": "W25",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -294.42533286,
"energy_per_atom": -11.777013314400001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.42533286,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003679,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.707000Z",
"spacegroup": 10
},
{
"id": "mp-1216274",
"created_at": "2022-09-04T14:40:30.967985Z",
"structure_string": "W4\n1.0\n2.669141 0.000000 0.000000\n0.000000 2.669141 0.000000\n1.334570 1.334570 9.663752\nW\n4\ndirect\n0.435305 0.685305 0.129390 W\n0.185305 0.935305 0.629390 W\n0.564695 0.314695 0.870610 W\n0.814695 0.064695 0.370610 W\n",
"nsites": 4,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 17.736188308705483,
"density_atomic": 0.05809933778165902,
"volume": 68.84760055324989,
"volume_molar": 10.365248537998118,
"formula_full": "W4",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -48.6160018,
"energy_per_atom": -12.15400045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.6160018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.366000Z",
"spacegroup": 141
},
{
"id": "mp-11334",
"created_at": "2022-09-04T14:41:35.643478Z",
"structure_string": "W8\n1.0\n5.088852 0.000000 0.000000\n0.000000 5.088852 0.000000\n0.000000 0.000000 5.088852\nW\n8\ndirect\n0.250000 0.000000 0.500000 W\n0.750000 0.000000 0.500000 W\n0.000000 0.500000 0.250000 W\n0.000000 0.500000 0.750000 W\n0.500000 0.750000 0.000000 W\n0.500000 0.250000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 8,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.531886626123665,
"density_atomic": 0.06070584739417175,
"volume": 131.78302162648114,
"volume_molar": 9.920198825159922,
"formula_full": "W8",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -102.96692659,
"energy_per_atom": -12.87086582375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.96692659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.097000Z",
"spacegroup": 223
},
{
"id": "mp-1178801",
"created_at": "2022-09-04T14:42:07.885470Z",
"structure_string": "W20\n1.0\n2.628867 0.000000 0.000000\n0.000000 9.433227 0.000000\n0.000000 2.672918 14.754390\nW\n20\ndirect\n0.500000 0.644155 0.976633 W\n0.500000 0.355845 0.023367 W\n0.500000 0.936229 0.928019 W\n0.500000 0.063771 0.071981 W\n0.500000 0.226823 0.876616 W\n0.500000 0.773177 0.123384 W\n0.500000 0.516649 0.828896 W\n0.500000 0.483351 0.171104 W\n0.500000 0.804473 0.782536 W\n0.500000 0.195527 0.217464 W\n0.500000 0.095223 0.734057 W\n0.500000 0.904777 0.265943 W\n0.500000 0.387918 0.682405 W\n0.500000 0.612082 0.317595 W\n0.500000 0.674230 0.635727 W\n0.500000 0.325770 0.364273 W\n0.500000 0.960867 0.589879 W\n0.500000 0.039133 0.410121 W\n0.500000 0.248933 0.543223 W\n0.500000 0.751067 0.456777 W\n",
"nsites": 20,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 16.68664187933335,
"density_atomic": 0.05466128494548702,
"volume": 365.8896789555119,
"volume_molar": 11.017195746506513,
"formula_full": "W20",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -235.19982047,
"energy_per_atom": -11.7599910235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.19982047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.279000Z",
"spacegroup": 10
},
{
"id": "mp-8641",
"created_at": "2022-09-04T14:40:27.509041Z",
"structure_string": "W1\n1.0\n0.000000 2.021631 2.021631\n2.021631 0.000000 2.021631\n2.021631 2.021631 0.000000\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.473681323464337,
"density_atomic": 0.06051518131186431,
"volume": 16.524779044228772,
"volume_molar": 9.951454543224393,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.48670239,
"energy_per_atom": -12.48670239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.48670239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.423000Z",
"spacegroup": 225
},
{
"id": "mp-1065340",
"created_at": "2022-09-04T14:40:05.100539Z",
"structure_string": "W4\n1.0\n2.809662 0.000000 0.000000\n0.000000 4.863870 0.000000\n0.000000 0.000000 4.923695\nW\n4\ndirect\n0.793172 0.563157 0.250000 W\n0.206828 0.063157 0.250000 W\n0.206828 0.436843 0.750000 W\n0.793172 0.936843 0.750000 W\n",
"nsites": 4,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.14771377830403,
"density_atomic": 0.05944739277790792,
"volume": 67.28638234722543,
"volume_molar": 10.130201643154267,
"formula_full": "W4",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -49.86695147,
"energy_per_atom": -12.4667378675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.86695147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.117000Z",
"spacegroup": 57
},
{
"id": "mp-91",
"created_at": "2022-09-04T14:43:55.560345Z",
"structure_string": "W1\n1.0\n-1.593707 1.593707 1.593707\n1.593707 -1.593707 1.593707\n1.593707 1.593707 -1.593707\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.854007561757314,
"density_atomic": 0.06176103539286579,
"volume": 16.191438398643058,
"volume_molar": 9.750712114349747,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.95812647,
"energy_per_atom": -12.95812647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95812647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.617000Z",
"spacegroup": 229
},
{
"id": "mp-146",
"created_at": "2022-09-04T14:46:42.215982Z",
"structure_string": "V1\n1.0\n-1.496272 1.496272 1.496272\n1.496272 -1.496272 1.496272\n1.496272 1.496272 -1.496272\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.312904042916114,
"density_atomic": 0.07462912706526477,
"volume": 13.399593956465264,
"volume_molar": 8.069424093267912,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -9.08390607,
"energy_per_atom": -9.08390607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.08390607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.718000Z",
"spacegroup": 229
},
{
"id": "mp-8632",
"created_at": "2022-09-04T14:42:47.362829Z",
"structure_string": "V1\n1.0\n0.000000 1.909544 1.909544\n1.909544 0.000000 1.909544\n1.909544 1.909544 0.000000\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.0743780976875925,
"density_atomic": 0.07180934983535475,
"volume": 13.92576318115692,
"volume_molar": 8.386290606735237,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -8.83676567,
"energy_per_atom": -8.83676567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83676567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.043000Z",
"spacegroup": 225
}
]
}