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=nsites&page=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=36",
"results": [
{
"id": "mp-1001918",
"created_at": "2022-09-04T14:42:40.963857Z",
"structure_string": "Hf1 C1\n1.0\n2.896252 0.000000 0.000000\n0.000000 2.896252 0.000000\n0.000000 0.000000 2.896252\nHf C\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"C"
],
"chemical_system": "C-Hf",
"density": 13.020768970250511,
"density_atomic": 0.0823229558415131,
"volume": 24.294560120634756,
"volume_molar": 7.315263037437255,
"formula_full": "Hf1 C1",
"formula_reduced": "HfC",
"formula_anonymous": "AB",
"energy": -18.38545672,
"energy_per_atom": -9.19272836,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.38545672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.613000Z",
"spacegroup": 221
},
{
"id": "mp-984762",
"created_at": "2022-09-04T14:40:18.496383Z",
"structure_string": "Cs1 Y1\n1.0\n1.921708 -3.328495 0.000000\n1.921708 3.328495 0.000000\n0.000000 0.000000 7.510495\nCs Y\n1 1\ndirect\n0.333333 0.666667 0.500000 Cs\n0.000000 0.000000 0.000000 Y\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Y"
],
"chemical_system": "Cs-Y",
"density": 3.8335303363139213,
"density_atomic": 0.020815944997607555,
"volume": 96.08019238280397,
"volume_molar": 28.93042213885627,
"formula_full": "Cs1 Y1",
"formula_reduced": "CsY",
"formula_anonymous": "AB",
"energy": -5.9281093,
"energy_per_atom": -2.96405465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.9281093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.913000Z",
"spacegroup": 187
},
{
"id": "mp-997617",
"created_at": "2022-09-04T14:40:19.706958Z",
"structure_string": "B1 Os1\n1.0\n1.448176 -2.508315 0.000000\n1.448176 2.508315 0.000000\n0.000000 0.000000 2.879359\nB Os\n1 1\ndirect\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"Os"
],
"chemical_system": "B-Os",
"density": 15.958956839078912,
"density_atomic": 0.0956094373793509,
"volume": 20.91843707922443,
"volume_molar": 6.298688628514639,
"formula_full": "B1 Os1",
"formula_reduced": "BOs",
"formula_anonymous": "AB",
"energy": -18.38046882,
"energy_per_atom": -9.19023441,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.38046882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.860000Z",
"spacegroup": 187
},
{
"id": "mp-1220052",
"created_at": "2022-09-04T14:40:19.625290Z",
"structure_string": "Ni1 Pt1\n1.0\n4.287101 -1.358796 0.000000\n4.287101 1.358796 0.000000\n3.856431 0.000000 2.313763\nNi Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"Pt"
],
"chemical_system": "Ni-Pt",
"density": 15.632743375426722,
"density_atomic": 0.07419303776010859,
"volume": 26.956707264995437,
"volume_molar": 8.116854278795858,
"formula_full": "Ni1 Pt1",
"formula_reduced": "NiPt",
"formula_anonymous": "AB",
"energy": -11.96145794,
"energy_per_atom": -5.98072897,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.96145794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9561523,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.841000Z",
"spacegroup": 166
},
{
"id": "mp-1219667",
"created_at": "2022-09-04T14:42:42.759054Z",
"structure_string": "Pu1 Ga1\n1.0\n-2.180489 -1.533692 1.558807\n-2.180489 1.533692 -1.558807\n0.000000 -3.208736 -3.165694\nPu Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Ga"
],
"chemical_system": "Ga-Pu",
"density": 12.119000898573317,
"density_atomic": 0.046526604238131174,
"volume": 42.986158838578795,
"volume_molar": 12.943434962881982,
"formula_full": "Pu1 Ga1",
"formula_reduced": "PuGa",
"formula_anonymous": "AB",
"energy": -17.98777841,
"energy_per_atom": -8.993889205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.98777841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.445117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.834000Z",
"spacegroup": 123
},
{
"id": "mp-2735",
"created_at": "2022-09-04T14:40:26.106022Z",
"structure_string": "Pa1 O1\n1.0\n0.000000 2.468952 2.468952\n2.468952 0.000000 2.468952\n2.468952 2.468952 0.000000\nPa O\n1 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"O"
],
"chemical_system": "O-Pa",
"density": 13.62825159334175,
"density_atomic": 0.06644496238445,
"volume": 30.10009981536323,
"volume_molar": 9.063351898908369,
"formula_full": "Pa1 O1",
"formula_reduced": "PaO",
"formula_anonymous": "AB",
"energy": -20.01160339,
"energy_per_atom": -10.005801695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.32460339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6044813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.170000Z",
"spacegroup": 225
},
{
"id": "mp-1220069",
"created_at": "2022-09-04T14:42:43.642004Z",
"structure_string": "Nd1 Th1\n1.0\n6.058414 -1.794396 0.000000\n6.058414 1.794396 0.000000\n5.526946 0.000000 3.062206\nNd Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Th"
],
"chemical_system": "Nd-Th",
"density": 9.384662601672877,
"density_atomic": 0.03003919962801777,
"volume": 66.57967005667442,
"volume_molar": 20.047607241782522,
"formula_full": "Nd1 Th1",
"formula_reduced": "NdTh",
"formula_anonymous": "AB",
"energy": -12.09482914,
"energy_per_atom": -6.04741457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.09482914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.827000Z",
"spacegroup": 166
},
{
"id": "mp-1008918",
"created_at": "2022-09-04T14:40:21.230032Z",
"structure_string": "Cd1 N1\n1.0\n0.000000 2.381320 2.381320\n2.381320 0.000000 2.381320\n2.381320 2.381320 0.000000\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.772732255509973,
"density_atomic": 0.07405369303293662,
"volume": 27.007430934071937,
"volume_molar": 8.132127532547974,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy": -7.53872434,
"energy_per_atom": -3.76936217,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.17772434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.742000Z",
"spacegroup": 225
},
{
"id": "mp-1017519",
"created_at": "2022-09-04T14:39:15.027933Z",
"structure_string": "Ir1 C1\n1.0\n2.730070 0.000000 0.000000\n0.000000 2.730070 0.000000\n0.000000 0.000000 2.730070\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 16.666422834774416,
"density_atomic": 0.09828984443478982,
"volume": 20.347982149131344,
"volume_molar": 6.126920634201814,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -14.73315976,
"energy_per_atom": -7.36657988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73315976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.776000Z",
"spacegroup": 221
},
{
"id": "mp-219",
"created_at": "2022-09-04T14:40:23.095895Z",
"structure_string": "Mo1 P1\n1.0\n1.622321 -2.809942 0.000000\n1.622321 2.809942 0.000000\n0.000000 0.000000 3.200517\nMo P\n1 1\ndirect\n0.666667 0.333333 0.000000 Mo\n0.000000 0.000000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 7.222266928861905,
"density_atomic": 0.06854025502282365,
"volume": 29.179932279709305,
"volume_molar": 8.786282977783857,
"formula_full": "Mo1 P1",
"formula_reduced": "MoP",
"formula_anonymous": "AB",
"energy": -17.57021422,
"energy_per_atom": -8.78510711,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.57021422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.176000Z",
"spacegroup": 187
},
{
"id": "mp-1224803",
"created_at": "2022-09-04T14:40:23.481337Z",
"structure_string": "Fe1 Ru1\n1.0\n1.321401 -2.288733 0.000000\n1.321401 2.288733 0.000000\n0.000000 0.000000 4.070227\nFe Ru\n1 1\ndirect\n0.333333 0.666667 0.500000 Fe\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Ru"
],
"chemical_system": "Fe-Ru",
"density": 10.583642690972527,
"density_atomic": 0.08123657529313018,
"volume": 24.619452417624643,
"volume_molar": 7.413090394652896,
"formula_full": "Fe1 Ru1",
"formula_reduced": "FeRu",
"formula_anonymous": "AB",
"energy": -17.48777076,
"energy_per_atom": -8.74388538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.48777076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.961000Z",
"spacegroup": 187
},
{
"id": "mp-1219925",
"created_at": "2022-09-04T14:39:23.139186Z",
"structure_string": "Pd1 Rh1\n1.0\n4.565229 -1.379215 0.000000\n4.565229 1.379215 0.000000\n4.148550 0.000000 2.352250\nPd Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh",
"density": 11.734463073808108,
"density_atomic": 0.06751837535122625,
"volume": 29.621565827023066,
"volume_molar": 8.919261947096935,
"formula_full": "Pd1 Rh1",
"formula_reduced": "PdRh",
"formula_anonymous": "AB",
"energy": -12.35889102,
"energy_per_atom": -6.17944551,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.35889102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0250699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.155000Z",
"spacegroup": 166
}
]
}