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=21",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=19",
"results": [
{
"id": "mp-21674",
"created_at": "2022-09-04T14:47:00.543206Z",
"structure_string": "Pu20 Ir16\n1.0\n6.835498 0.000000 0.000000\n0.000000 7.525338 0.000000\n0.000000 0.000000 14.137057\nPu Ir\n20 16\ndirect\n0.699403 0.029250 0.250000 Pu\n0.199403 0.470750 0.250000 Pu\n0.800597 0.529250 0.750000 Pu\n0.300597 0.970750 0.750000 Pu\n0.855235 0.665025 0.117675 Pu\n0.355235 0.834975 0.382325 Pu\n0.644765 0.165025 0.882325 Pu\n0.144765 0.334975 0.617675 Pu\n0.144765 0.334975 0.882325 Pu\n0.644765 0.165025 0.617675 Pu\n0.355235 0.834975 0.117675 Pu\n0.855235 0.665025 0.382325 Pu\n0.000675 0.169789 0.095282 Pu\n0.500675 0.330211 0.404718 Pu\n0.499325 0.669789 0.904718 Pu\n0.999325 0.830211 0.595282 Pu\n0.999325 0.830211 0.904718 Pu\n0.499325 0.669789 0.595282 Pu\n0.500675 0.330211 0.095282 Pu\n0.000675 0.169789 0.404718 Pu\n0.042006 0.870729 0.250000 Ir\n0.542006 0.629271 0.250000 Ir\n0.457994 0.370729 0.750000 Ir\n0.957994 0.129271 0.750000 Ir\n0.830299 0.369278 0.250000 Ir\n0.330299 0.130722 0.250000 Ir\n0.669701 0.869278 0.750000 Ir\n0.169701 0.630722 0.750000 Ir\n0.803833 0.457641 0.966868 Ir\n0.303833 0.042359 0.533132 Ir\n0.696167 0.957641 0.033132 Ir\n0.196167 0.542359 0.466868 Ir\n0.196167 0.542359 0.033132 Ir\n0.696167 0.957641 0.466868 Ir\n0.303833 0.042359 0.966868 Ir\n0.803833 0.457641 0.533132 Ir\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Pu",
"Ir"
],
"chemical_system": "Ir-Pu",
"density": 18.16602336208773,
"density_atomic": 0.049504801121226676,
"volume": 727.2021942244288,
"volume_molar": 12.16476104055658,
"formula_full": "Pu20 Ir16",
"formula_reduced": "Pu5Ir4",
"formula_anonymous": "A4B5",
"energy": -413.0593744,
"energy_per_atom": -11.473871511111112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -413.0593744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7983195,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.778000Z",
"spacegroup": 62
},
{
"id": "mp-1008669",
"created_at": "2022-09-04T14:42:04.436755Z",
"structure_string": "U1\n1.0\n0.000000 2.216057 2.216057\n2.216057 0.000000 2.216057\n2.216057 2.216057 0.000000\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.159589588452988,
"density_atomic": 0.04594383290806428,
"volume": 21.76570687955108,
"volume_molar": 13.107615056955694,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.91983266,
"energy_per_atom": -10.91983266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.91983266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0970341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.974000Z",
"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-1187208",
"created_at": "2022-09-04T14:48:30.910622Z",
"structure_string": "Ta2 Re1 W1\n1.0\n0.000000 3.224561 3.224561\n3.224561 0.000000 3.224561\n3.224561 3.224561 0.000000\nTa Re W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Re",
"W"
],
"chemical_system": "Re-Ta-W",
"density": 18.12526771904064,
"density_atomic": 0.059651065367170394,
"volume": 67.05663973273214,
"volume_molar": 10.095613084078042,
"formula_full": "Ta2 Re1 W1",
"formula_reduced": "Ta2ReW",
"formula_anonymous": "ABC2",
"energy": -50.22985637,
"energy_per_atom": -12.5574640925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.22985637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:56.292000Z",
"spacegroup": 225
},
{
"id": "mp-1217531",
"created_at": "2022-09-04T14:46:19.367667Z",
"structure_string": "Th1 U3 Re8\n1.0\n2.941850 4.395458 0.000000\n-2.941850 4.395458 0.000000\n0.000000 0.043322 8.633045\nTh U Re\n1 3 8\ndirect\n0.335270 0.335270 0.433846 Th\n0.670542 0.670542 0.583962 U\n0.339146 0.339146 0.064700 U\n0.661615 0.661615 0.924537 U\n0.994600 0.994600 0.499958 Re\n0.999811 0.999811 0.999224 Re\n0.826157 0.826157 0.248851 Re\n0.171025 0.171025 0.751793 Re\n0.340187 0.831194 0.243050 Re\n0.169491 0.660962 0.753516 Re\n0.660962 0.169491 0.753516 Re\n0.831194 0.340187 0.243050 Re\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Th",
"U",
"Re"
],
"chemical_system": "Re-Th-U",
"density": 18.116263905332747,
"density_atomic": 0.05374803435620657,
"volume": 223.26397874333233,
"volume_molar": 11.20439255524996,
"formula_full": "Th1 U3 Re8",
"formula_reduced": "ThU3Re8",
"formula_anonymous": "AB3C8",
"energy": -141.02454858,
"energy_per_atom": -11.752045715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.02454858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.753011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.550000Z",
"spacegroup": 8
},
{
"id": "mp-1221420",
"created_at": "2022-09-04T14:41:46.762550Z",
"structure_string": "Mo1 Pt3\n1.0\n2.792869 0.000000 0.000000\n0.000000 4.564683 0.000000\n0.000000 0.000000 4.897808\nMo Pt\n1 3\ndirect\n0.000000 0.000000 0.158463 Mo\n0.500000 0.500000 0.337975 Pt\n0.500000 0.000000 0.656466 Pt\n0.000000 0.500000 0.847096 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Pt"
],
"chemical_system": "Mo-Pt",
"density": 18.1157238490252,
"density_atomic": 0.06406149163573253,
"volume": 62.440007215955305,
"volume_molar": 9.400562812747465,
"formula_full": "Mo1 Pt3",
"formula_reduced": "MoPt3",
"formula_anonymous": "AB3",
"energy": -29.73734864,
"energy_per_atom": -7.43433716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.73734864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.200000Z",
"spacegroup": 25
},
{
"id": "mp-568195",
"created_at": "2022-09-04T14:47:07.127586Z",
"structure_string": "U12 Mn2\n1.0\n-5.064240 5.064240 2.650443\n5.064240 -5.064240 2.650443\n5.064240 5.064240 -2.650443\nU Mn\n12 2\ndirect\n0.906877 0.406877 0.313753 U\n0.093123 0.593123 0.686247 U\n0.593123 0.906877 0.500000 U\n0.406877 0.093123 0.500000 U\n0.097853 0.218728 0.316581 U\n0.902147 0.781272 0.683419 U\n0.402147 0.718728 0.120874 U\n0.597853 0.281272 0.879126 U\n0.218728 0.902147 0.120874 U\n0.781272 0.097853 0.879126 U\n0.718728 0.597853 0.316581 U\n0.281272 0.402147 0.683419 U\n0.750000 0.750000 0.000000 Mn\n0.250000 0.250000 0.000000 Mn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Mn"
],
"chemical_system": "Mn-U",
"density": 18.115314511248936,
"density_atomic": 0.0514897777394548,
"volume": 271.8986294880099,
"volume_molar": 11.695798708770587,
"formula_full": "U12 Mn2",
"formula_reduced": "U6Mn",
"formula_anonymous": "AB6",
"energy": -153.44768548,
"energy_per_atom": -10.960548962857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.44768548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.289000Z",
"spacegroup": 140
},
{
"id": "mp-974437",
"created_at": "2022-09-04T14:44:26.017655Z",
"structure_string": "Re4 C2\n1.0\n1.433013 -2.482051 0.000000\n1.433013 2.482051 0.000000\n0.000000 0.000000 9.915113\nRe C\n4 2\ndirect\n0.333333 0.666667 0.608386 Re\n0.666667 0.333333 0.108386 Re\n0.666667 0.333333 0.391614 Re\n0.333333 0.666667 0.891614 Re\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 18.10097140478265,
"density_atomic": 0.08506732090576366,
"volume": 70.53237290318232,
"volume_molar": 7.079264629329563,
"formula_full": "Re4 C2",
"formula_reduced": "Re2C",
"formula_anonymous": "AB2",
"energy": -68.41012677,
"energy_per_atom": -11.401687795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.41012677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.869000Z",
"spacegroup": 194
},
{
"id": "mp-1913",
"created_at": "2022-09-04T14:39:45.631479Z",
"structure_string": "Er1 Pt3\n1.0\n4.102937 0.000000 0.000000\n0.000000 4.102937 0.000000\n0.000000 0.000000 4.102937\nEr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"Pt"
],
"chemical_system": "Er-Pt",
"density": 18.091617814840088,
"density_atomic": 0.05791291773528441,
"volume": 69.06921903475316,
"volume_molar": 10.398613980263873,
"formula_full": "Er1 Pt3",
"formula_reduced": "ErPt3",
"formula_anonymous": "AB3",
"energy": -26.95086534,
"energy_per_atom": -6.737716335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.95086534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008918,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.116000Z",
"spacegroup": 221
},
{
"id": "mp-1209855",
"created_at": "2022-09-04T14:43:12.217767Z",
"structure_string": "Pu8 Mn2\n1.0\n-4.558961 -4.558961 0.000000\n-4.558961 0.000000 -4.558961\n0.000000 -4.558961 -4.558961\nPu Mn\n8 2\ndirect\n0.597669 0.597669 0.597669 Pu\n0.206993 0.597669 0.597669 Pu\n0.597669 0.206993 0.597669 Pu\n0.543007 0.152331 0.152331 Pu\n0.152331 0.152331 0.152331 Pu\n0.597669 0.597669 0.206993 Pu\n0.152331 0.543007 0.152331 Pu\n0.152331 0.152331 0.543007 Pu\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"Mn"
],
"chemical_system": "Mn-Pu",
"density": 18.06691632798572,
"density_atomic": 0.05276821133508163,
"volume": 189.5080342310513,
"volume_molar": 11.412440572902895,
"formula_full": "Pu8 Mn2",
"formula_reduced": "Pu4Mn",
"formula_anonymous": "AB4",
"energy": -122.04200081,
"energy_per_atom": -12.204200081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.04200081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5452655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.421000Z",
"spacegroup": 227
},
{
"id": "mp-1221425",
"created_at": "2022-09-04T14:42:28.064149Z",
"structure_string": "Mo1 Pt3\n1.0\n9.262844 -1.400123 0.000000\n9.262844 1.400123 0.000000\n9.051208 0.000000 2.415833\nMo Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mo\n0.253259 0.253259 0.253259 Pt\n0.500000 0.500000 0.500000 Pt\n0.746741 0.746741 0.746741 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Pt"
],
"chemical_system": "Mo-Pt",
"density": 18.05141253927555,
"density_atomic": 0.06383407160736684,
"volume": 62.66246064646103,
"volume_molar": 9.434053959523723,
"formula_full": "Mo1 Pt3",
"formula_reduced": "MoPt3",
"formula_anonymous": "AB3",
"energy": -29.58032977,
"energy_per_atom": -7.3950824425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58032977,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0837958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.694000Z",
"spacegroup": 166
},
{
"id": "mp-1186225",
"created_at": "2022-09-04T14:47:14.507731Z",
"structure_string": "Nb1 Os3\n1.0\n3.937626 0.000000 0.000000\n0.000000 3.937626 0.000000\n0.000000 0.000000 3.937626\nNb Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Os"
],
"chemical_system": "Nb-Os",
"density": 18.04885740036746,
"density_atomic": 0.06551739167699644,
"volume": 61.05249152347474,
"volume_molar": 9.191667442576794,
"formula_full": "Nb1 Os3",
"formula_reduced": "NbOs3",
"formula_anonymous": "AB3",
"energy": -44.05181276,
"energy_per_atom": -11.01295319,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.05181276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.567000Z",
"spacegroup": 221
}
]
}