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=-density&page=164",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=162",
"results": [
{
"id": "mp-865375",
"created_at": "2022-09-04T14:42:16.697276Z",
"structure_string": "Tm2 Os1 Rh1\n1.0\n0.000000 3.372322 3.372322\n3.372322 0.000000 3.372322\n3.372322 3.372322 0.000000\nTm Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Tm",
"density": 13.660419985050096,
"density_atomic": 0.052148628185459005,
"volume": 76.70383937568947,
"volume_molar": 11.548032938820812,
"formula_full": "Tm2 Os1 Rh1",
"formula_reduced": "Tm2OsRh",
"formula_anonymous": "ABC2",
"energy": -29.87033976,
"energy_per_atom": -7.46758494,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.87033976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0113345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.901000Z",
"spacegroup": 225
},
{
"id": "mp-10456",
"created_at": "2022-09-04T14:46:29.192441Z",
"structure_string": "Hf4 Si4 Pt4\n1.0\n3.908504 0.000000 0.000000\n0.000000 6.594834 0.000000\n0.000000 0.000000 7.576967\nHf Si Pt\n4 4 4\ndirect\n0.750000 0.474331 0.322885 Hf\n0.250000 0.025669 0.822885 Hf\n0.750000 0.974331 0.177115 Hf\n0.250000 0.525669 0.677115 Hf\n0.250000 0.260418 0.122458 Si\n0.250000 0.760418 0.377542 Si\n0.750000 0.739582 0.877542 Si\n0.750000 0.239582 0.622458 Si\n0.250000 0.645719 0.065523 Pt\n0.250000 0.145719 0.434477 Pt\n0.750000 0.854281 0.565523 Pt\n0.750000 0.354281 0.934477 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Si",
"Pt"
],
"chemical_system": "Hf-Pt-Si",
"density": 13.660207842687557,
"density_atomic": 0.06144285978642282,
"volume": 195.3034094069246,
"volume_molar": 9.801205186303402,
"formula_full": "Hf4 Si4 Pt4",
"formula_reduced": "HfSiPt",
"formula_anonymous": "ABC",
"energy": -99.05202205999998,
"energy_per_atom": -8.254335171666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.05202205999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.507000Z",
"spacegroup": 62
},
{
"id": "mp-1008987",
"created_at": "2022-09-04T14:45:39.769220Z",
"structure_string": "Ir1 N1\n1.0\n0.000000 2.322966 2.322966\n2.322966 0.000000 2.322966\n2.322966 2.322966 0.000000\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 13.659321162582431,
"density_atomic": 0.07977584996830624,
"volume": 25.070243698996254,
"volume_molar": 7.548826822142925,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy": -16.02242393,
"energy_per_atom": -8.011211965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.66142393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003683,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.884000Z",
"spacegroup": 216
},
{
"id": "mp-1183201",
"created_at": "2022-09-04T14:46:33.834629Z",
"structure_string": "Au3 Cl1\n1.0\n-2.130469 2.130469 4.194068\n2.130469 -2.130469 4.194068\n2.130469 2.130469 -4.194068\nAu Cl\n3 1\ndirect\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Cl"
],
"chemical_system": "Au-Cl",
"density": 13.659102334048981,
"density_atomic": 0.05253080957104496,
"volume": 76.14579011180525,
"volume_molar": 11.464016658367683,
"formula_full": "Au3 Cl1",
"formula_reduced": "Au3Cl",
"formula_anonymous": "AB3",
"energy": -11.06418932,
"energy_per_atom": -2.76604733,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.45018932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.170000Z",
"spacegroup": 139
},
{
"id": "mp-1183793",
"created_at": "2022-09-04T14:44:03.735925Z",
"structure_string": "Dy1 Pa3\n1.0\n4.702978 0.000000 0.000000\n0.000000 4.702978 0.000000\n0.000000 0.000000 4.702978\nDy Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Pa"
],
"chemical_system": "Dy-Pa",
"density": 13.658559843924039,
"density_atomic": 0.038453967048456626,
"volume": 104.02047713203474,
"volume_molar": 15.66064888028686,
"formula_full": "Dy1 Pa3",
"formula_reduced": "DyPa3",
"formula_anonymous": "AB3",
"energy": -32.39496587,
"energy_per_atom": -8.0987414675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.39496587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.952000Z",
"spacegroup": 221
},
{
"id": "mp-1078792",
"created_at": "2022-09-04T14:46:17.652002Z",
"structure_string": "U2 Ge4 Pt4\n1.0\n4.299559 0.000000 0.000000\n0.000000 4.299559 0.000000\n0.000000 0.000000 10.174184\nU Ge Pt\n2 4 4\ndirect\n0.000000 0.500000 0.250111 U\n0.500000 0.000000 0.749889 U\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.865224 Ge\n0.500000 0.000000 0.134776 Ge\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.628011 Pt\n0.500000 0.000000 0.371989 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"U",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-U",
"density": 13.65774605476474,
"density_atomic": 0.053168277017184254,
"volume": 188.0820775284471,
"volume_molar": 11.326567453095413,
"formula_full": "U2 Ge4 Pt4",
"formula_reduced": "U(GePt)2",
"formula_anonymous": "AB2C2",
"energy": -70.76347088,
"energy_per_atom": -7.076347088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.76347088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0686017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.975000Z",
"spacegroup": 129
},
{
"id": "mp-1105793",
"created_at": "2022-09-04T14:39:28.633621Z",
"structure_string": "Mg4 B4 As2 Ir10\n1.0\n9.488347 0.000000 0.000000\n0.000000 9.488347 0.000000\n0.000000 0.000000 2.989090\nMg B As Ir\n4 4 2 10\ndirect\n0.824665 0.324665 0.000000 Mg\n0.175335 0.675335 0.000000 Mg\n0.324665 0.175335 0.000000 Mg\n0.675335 0.824665 0.000000 Mg\n0.624293 0.124293 0.000000 B\n0.375707 0.875707 0.000000 B\n0.124293 0.375707 0.000000 B\n0.875707 0.624293 0.000000 B\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.716206 0.572595 0.500000 Ir\n0.283794 0.427405 0.500000 Ir\n0.216206 0.927405 0.500000 Ir\n0.783794 0.072595 0.500000 Ir\n0.427405 0.716206 0.500000 Ir\n0.572595 0.283794 0.500000 Ir\n0.072595 0.216206 0.500000 Ir\n0.927405 0.783794 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"B",
"As",
"Ir"
],
"chemical_system": "As-B-Ir-Mg",
"density": 13.652361889497707,
"density_atomic": 0.07432071619398112,
"volume": 269.10397294610175,
"volume_molar": 8.102910020783282,
"formula_full": "Mg4 B4 As2 Ir10",
"formula_reduced": "Mg2B2AsIr5",
"formula_anonymous": "AB2C2D5",
"energy": -139.40896743,
"energy_per_atom": -6.9704483715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.40896743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0471438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.168000Z",
"spacegroup": 127
},
{
"id": "mp-1186115",
"created_at": "2022-09-04T14:39:15.397023Z",
"structure_string": "Na2 Au6\n1.0\n2.902174 -5.026712 0.000000\n2.902174 5.026712 0.000000\n0.000000 0.000000 5.119016\nNa Au\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.833749 0.166251 0.750000 Au\n0.332503 0.166251 0.750000 Au\n0.833749 0.667497 0.750000 Au\n0.166251 0.833749 0.250000 Au\n0.667497 0.833749 0.250000 Au\n0.166251 0.332503 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Au"
],
"chemical_system": "Au-Na",
"density": 13.650399077082048,
"density_atomic": 0.0535631431240083,
"volume": 149.35643305096124,
"volume_molar": 11.243068290555062,
"formula_full": "Na2 Au6",
"formula_reduced": "NaAu3",
"formula_anonymous": "AB3",
"energy": -23.84148242,
"energy_per_atom": -2.9801853025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.84148242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.87e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.658000Z",
"spacegroup": 194
},
{
"id": "mp-977563",
"created_at": "2022-09-04T14:44:57.139689Z",
"structure_string": "Li1 Nb1 Ir2\n1.0\n0.000000 3.088356 3.088356\n3.088356 0.000000 3.088356\n3.088356 3.088356 0.000000\nLi Nb Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nb",
"Ir"
],
"chemical_system": "Ir-Li-Nb",
"density": 13.650067654046122,
"density_atomic": 0.06789658427470098,
"volume": 58.91312564143885,
"volume_molar": 8.869578380607752,
"formula_full": "Li1 Nb1 Ir2",
"formula_reduced": "LiNbIr2",
"formula_anonymous": "ABC2",
"energy": -31.6379343,
"energy_per_atom": -7.909483575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.6379343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.916000Z",
"spacegroup": 225
},
{
"id": "mp-11883",
"created_at": "2022-09-04T14:40:54.366156Z",
"structure_string": "Mg4 Ir8\n1.0\n2.606239 -4.514138 0.000000\n2.606239 4.514138 0.000000\n0.000000 0.000000 8.453040\nMg Ir\n4 8\ndirect\n0.333333 0.666667 0.069374 Mg\n0.666667 0.333333 0.569374 Mg\n0.666667 0.333333 0.930626 Mg\n0.333333 0.666667 0.430626 Mg\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.828138 0.656276 0.250000 Ir\n0.171862 0.828138 0.750000 Ir\n0.656276 0.828138 0.750000 Ir\n0.343724 0.171862 0.250000 Ir\n0.828138 0.171862 0.250000 Ir\n0.171862 0.343724 0.750000 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg",
"density": 13.649702196175793,
"density_atomic": 0.06033221296660592,
"volume": 198.89872109683824,
"volume_molar": 9.981634128576177,
"formula_full": "Mg4 Ir8",
"formula_reduced": "MgIr2",
"formula_anonymous": "AB2",
"energy": -80.74682186,
"energy_per_atom": -6.728901821666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.74682186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025532,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.218000Z",
"spacegroup": 194
},
{
"id": "mp-1096994",
"created_at": "2022-09-04T14:47:27.280678Z",
"structure_string": "Hf2 N2\n1.0\n1.578209 -2.733539 0.000000\n1.578209 2.733539 0.000000\n0.000000 0.000000 5.429026\nHf N\n2 2\ndirect\n0.333333 0.666667 0.250000 Hf\n0.666667 0.333333 0.750000 Hf\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.647737934618606,
"density_atomic": 0.08539221599774702,
"volume": 46.84267709021084,
"volume_molar": 7.052329875311922,
"formula_full": "Hf2 N2",
"formula_reduced": "HfN",
"formula_anonymous": "AB",
"energy": -44.17330297,
"energy_per_atom": -11.0433257425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.45130297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.596000Z",
"spacegroup": 194
},
{
"id": "mp-30835",
"created_at": "2022-09-04T14:48:23.948418Z",
"structure_string": "Ta1 Pd2\n1.0\n-1.455178 1.934368 4.255649\n1.455178 -1.934368 4.255649\n1.455178 1.934368 -4.255649\nTa Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.335320 0.335320 0.000000 Pd\n0.664680 0.664680 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 13.64678757231886,
"density_atomic": 0.06260950111825954,
"volume": 47.91605022268857,
"volume_molar": 9.61857330347533,
"formula_full": "Ta1 Pd2",
"formula_reduced": "TaPd2",
"formula_anonymous": "AB2",
"energy": -23.60666183,
"energy_per_atom": -7.868887276666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.60666183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:34.123000Z",
"spacegroup": 71
}
]
}