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=nelements&page=3",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements",
"results": [
{
"id": "mp-1104341",
"created_at": "2022-09-04T14:45:04.676028Z",
"structure_string": "Nb7\n1.0\n2.781142 0.000000 0.000000\n0.160935 4.669230 0.000000\n0.759371 1.897759 9.740952\nNb\n7\ndirect\n0.647497 0.217785 0.571249 Nb\n0.352503 0.782215 0.428751 Nb\n0.939237 0.650438 0.713601 Nb\n0.060763 0.349562 0.286399 Nb\n0.223209 0.077630 0.856669 Nb\n0.776791 0.922370 0.143331 Nb\n0.500000 0.500000 0.000000 Nb\n",
"nsites": 7,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.537345194804299,
"density_atomic": 0.05533860483810518,
"volume": 126.49397324848934,
"volume_molar": 10.882350174201106,
"formula_full": "Nb7",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -70.54664182,
"energy_per_atom": -10.07809168857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.54664182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0433282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.280000Z",
"spacegroup": 12
},
{
"id": "mp-1185201",
"created_at": "2022-09-04T14:45:08.858207Z",
"structure_string": "K29\n1.0\n-8.163698 8.163698 8.163698\n8.163698 -8.163698 8.163698\n8.163698 8.163698 -8.163698\nK\n29\ndirect\n0.000000 0.000000 0.000000 K\n0.634598 0.000000 0.000000 K\n0.373248 0.189882 0.000000 K\n0.189882 0.373248 0.000000 K\n0.682000 0.403644 0.000000 K\n0.000000 0.634598 0.000000 K\n0.403644 0.682000 0.000000 K\n0.810118 0.810118 0.183366 K\n0.373248 0.000000 0.189882 K\n0.000000 0.373248 0.189882 K\n0.596356 0.596356 0.278355 K\n0.721645 0.318000 0.318000 K\n0.318000 0.721645 0.318000 K\n0.365402 0.365402 0.365402 K\n0.189882 0.000000 0.373248 K\n0.000000 0.189882 0.373248 K\n0.682000 0.000000 0.403644 K\n0.000000 0.682000 0.403644 K\n0.596356 0.278355 0.596356 K\n0.278355 0.596356 0.596356 K\n0.816634 0.626752 0.626752 K\n0.626752 0.816634 0.626752 K\n0.000000 0.000000 0.634598 K\n0.403644 0.000000 0.682000 K\n0.000000 0.403644 0.682000 K\n0.318000 0.318000 0.721645 K\n0.810118 0.183366 0.810118 K\n0.183366 0.810118 0.810118 K\n0.626752 0.626752 0.816634 K\n",
"nsites": 29,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8651356075891992,
"density_atomic": 0.013325306745282366,
"volume": 2176.3101258638594,
"volume_molar": 45.19326177712234,
"formula_full": "K29",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -31.12487004,
"energy_per_atom": -1.0732713806896552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.12487004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8306616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.880000Z",
"spacegroup": 217
},
{
"id": "mp-1183897",
"created_at": "2022-09-04T14:44:43.315426Z",
"structure_string": "Cs20\n1.0\n13.375494 0.000000 0.000000\n0.000000 13.375494 0.000000\n0.000000 0.000000 13.375494\nCs\n20\ndirect\n0.875000 0.703483 0.046517 Cs\n0.062325 0.062325 0.062325 Cs\n0.203483 0.453483 0.125000 Cs\n0.812325 0.312325 0.187675 Cs\n0.453483 0.125000 0.203483 Cs\n0.546517 0.625000 0.296517 Cs\n0.187675 0.812325 0.312325 Cs\n0.796517 0.953483 0.375000 Cs\n0.937675 0.562325 0.437675 Cs\n0.125000 0.203483 0.453483 Cs\n0.625000 0.296517 0.546517 Cs\n0.437675 0.937675 0.562325 Cs\n0.296517 0.546517 0.625000 Cs\n0.687675 0.687675 0.687675 Cs\n0.046517 0.875000 0.703483 Cs\n0.953483 0.375000 0.796517 Cs\n0.312325 0.187675 0.812325 Cs\n0.703483 0.046517 0.875000 Cs\n0.562325 0.437675 0.937675 Cs\n0.375000 0.796517 0.953483 Cs\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.844558345187755,
"density_atomic": 0.008357964131486529,
"volume": 2392.927235073315,
"volume_molar": 72.05272319024556,
"formula_full": "Cs20",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -17.13450952,
"energy_per_atom": -0.856725476,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.13450952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0715511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.654000Z",
"spacegroup": 213
},
{
"id": "mp-21",
"created_at": "2022-09-04T14:44:46.152862Z",
"structure_string": "Ca1\n1.0\n-2.192751 2.192751 2.192751\n2.192751 -2.192751 2.192751\n2.192751 2.192751 -2.192751\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5780733797530162,
"density_atomic": 0.023712211252472085,
"volume": 42.17236382354456,
"volume_molar": 25.396791112731712,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.98205783,
"energy_per_atom": -1.98205783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.98205783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009681,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.592000Z",
"spacegroup": 229
},
{
"id": "mp-611219",
"created_at": "2022-09-04T14:44:50.318943Z",
"structure_string": "Hg1\n1.0\n7.830023 -1.770053 0.000000\n7.830023 1.770053 0.000000\n7.429885 0.000000 3.039598\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 3.9533286686092426,
"density_atomic": 0.011868738083222304,
"volume": 84.25495558062774,
"volume_molar": 50.739520223408775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.21932567,
"energy_per_atom": -0.21932567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.21932567,
"band_gap": 1.7611,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.093000Z",
"spacegroup": 166
},
{
"id": "mp-997182",
"created_at": "2022-09-04T14:45:20.110662Z",
"structure_string": "C4\n1.0\n1.234016 -2.137378 0.000000\n1.234016 2.137378 0.000000\n0.000000 0.000000 14.997562\nC\n4\ndirect\n0.000000 0.000000 0.250000 C\n0.000000 0.000000 0.750000 C\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.008380923121407,
"density_atomic": 0.0505600161592115,
"volume": 79.11389876546237,
"volume_molar": 11.910875860950116,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.87609949,
"energy_per_atom": -9.2190248725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.87609949,
"band_gap": 9.9999999999989e-05,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.090000Z",
"spacegroup": 194
},
{
"id": "mp-11343",
"created_at": "2022-09-04T14:44:53.811303Z",
"structure_string": "Th1\n1.0\n-2.005547 2.005547 2.005547\n2.005547 -2.005547 2.005547\n2.005547 2.005547 -2.005547\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Th"
],
"chemical_system": "Th",
"density": 11.941250241983797,
"density_atomic": 0.03099142004223863,
"volume": 32.26699514372321,
"volume_molar": 19.43163866577376,
"formula_full": "Th1",
"formula_reduced": "Th",
"formula_anonymous": "A",
"energy": -7.25530224,
"energy_per_atom": -7.25530224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.25530224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.112000Z",
"spacegroup": 229
},
{
"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-973986",
"created_at": "2022-09-04T14:44:55.030549Z",
"structure_string": "Ho4\n1.0\n1.770124 -3.065945 0.000000\n1.770124 3.065945 0.000000\n0.000000 0.000000 11.426988\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.832421234737389,
"density_atomic": 0.032250033799475386,
"volume": 124.03087776190388,
"volume_molar": 18.673285111713472,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -18.30788468,
"energy_per_atom": -4.57697117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30788468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.283000Z",
"spacegroup": 194
},
{
"id": "mp-1184067",
"created_at": "2022-09-04T14:44:55.411585Z",
"structure_string": "Dy4\n1.0\n1.772893 -3.070741 0.000000\n1.772893 3.070741 0.000000\n0.000000 0.000000 11.491968\nDy\n4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.250000 Dy\n0.000000 0.000000 0.500000 Dy\n0.666667 0.333333 0.750000 Dy\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.626057276577232,
"density_atomic": 0.03196758839465983,
"volume": 125.12673619972527,
"volume_molar": 18.838270455853326,
"formula_full": "Dy4",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -18.41048831,
"energy_per_atom": -4.6026220775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.41048831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0175099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.832000Z",
"spacegroup": 194
},
{
"id": "mp-21462",
"created_at": "2022-09-04T14:44:59.829577Z",
"structure_string": "Eu2\n1.0\n2.025328 -3.507971 0.000000\n2.025328 3.507971 0.000000\n0.000000 0.000000 6.513786\nEu\n2\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.452616661628094,
"density_atomic": 0.02160802891342242,
"volume": 92.55818788532096,
"volume_molar": 27.869921796796483,
"formula_full": "Eu2",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -20.49290429,
"energy_per_atom": -10.246452145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.49290429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8417364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.441000Z",
"spacegroup": 194
},
{
"id": "mp-10023",
"created_at": "2022-09-04T14:45:15.106703Z",
"structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.122678571967442,
"density_atomic": 0.02654440620759267,
"volume": 37.67272065456727,
"volume_molar": 22.687042659396344,
"formula_full": "La1",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -4.80249767,
"energy_per_atom": -4.80249767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.80249767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6083648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.084000Z",
"spacegroup": 229
}
]
}