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=-energy_uncorrected&page=7",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=5",
"results": [
{
"id": "mp-10157",
"created_at": "2022-09-04T14:41:13.641272Z",
"structure_string": "K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8808036242463018,
"density_atomic": 0.013566634377869216,
"volume": 73.71024914117724,
"volume_molar": 44.38934957828385,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.09807417,
"energy_per_atom": -1.09807417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09807417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.917000Z",
"spacegroup": 225
},
{
"id": "mp-1097516",
"created_at": "2022-09-04T14:39:46.189037Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n-6.600972 7.290481 8.813920\n6.600972 -7.290481 8.813920\n6.600972 7.290481 -8.813920\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.754763 0.000000 0.754763 Hg\n0.245237 0.000000 0.245237 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Hg"
],
"chemical_system": "Ba-Hg-Sr",
"density": 0.6127994414096205,
"density_atomic": 0.0023575820848443967,
"volume": 1696.6535442026848,
"volume_molar": 255.43716160353625,
"formula_full": "Ba1 Sr1 Hg2",
"formula_reduced": "BaSrHg2",
"formula_anonymous": "ABC2",
"energy": -1.09854174,
"energy_per_atom": -0.274635435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09854174,
"band_gap": 0.0135999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0619129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.445000Z",
"spacegroup": 71
},
{
"id": "mp-58",
"created_at": "2022-09-04T14:47:28.022673Z",
"structure_string": "K1\n1.0\n-2.631059 2.631060 2.631060\n2.631059 -2.631060 2.631060\n2.631060 2.631060 -2.631059\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8911581989182845,
"density_atomic": 0.013726121379110086,
"volume": 72.85379258862663,
"volume_molar": 43.87357938685544,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.10082171,
"energy_per_atom": -1.10082171,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10082171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003526,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.452000Z",
"spacegroup": 229
},
{
"id": "mp-1096992",
"created_at": "2022-09-04T14:41:02.796536Z",
"structure_string": "Hg4\n1.0\n-3.227143 3.227143 3.344697\n3.227143 -3.227143 3.344697\n3.227143 3.227143 -3.344697\nHg\n4\ndirect\n0.875000 0.329267 0.954267 Hg\n0.375000 0.920733 0.045733 Hg\n0.670733 0.625000 0.545733 Hg\n0.079267 0.125000 0.454267 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 9.562361874033742,
"density_atomic": 0.02870825525868141,
"volume": 139.33274467421336,
"volume_molar": 20.97703502263133,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.10181619,
"energy_per_atom": -0.2754540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10181619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.390000Z",
"spacegroup": 122
},
{
"id": "mp-1096604",
"created_at": "2022-09-04T14:39:45.800485Z",
"structure_string": "Mg2 Zn1 Cd1\n1.0\n-5.584512 5.909793 8.355471\n5.584512 -5.909793 8.355471\n5.584512 5.909793 -8.355471\nMg Zn Cd\n2 1 1\ndirect\n0.000000 0.244473 0.244473 Mg\n0.000000 0.755527 0.755527 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cd"
],
"chemical_system": "Cd-Mg-Zn",
"density": 0.3408745979505121,
"density_atomic": 0.0036263654305097263,
"volume": 1103.0327959633553,
"volume_molar": 166.06546900469215,
"formula_full": "Mg2 Zn1 Cd1",
"formula_reduced": "Mg2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.10998129,
"energy_per_atom": -0.2774953225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10998129,
"band_gap": 0.0691999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.128000Z",
"spacegroup": 71
},
{
"id": "mp-634659",
"created_at": "2022-09-04T14:39:44.232237Z",
"structure_string": "H1\n1.0\n0.000000 2.714276 2.714276\n2.714276 0.000000 2.714276\n2.714276 2.714276 0.000000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.04184964346674343,
"density_atomic": 0.025003913308295884,
"volume": 39.99373968666803,
"volume_molar": 24.084792991191318,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.11598378,
"energy_per_atom": -1.11598378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.11598378,
"band_gap": 7.5516,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.544000Z",
"spacegroup": 225
},
{
"id": "mp-1095841",
"created_at": "2022-09-04T14:43:07.154275Z",
"structure_string": "Sr2 Mg1 Hg1\n1.0\n-6.381329 7.448308 9.015115\n6.381329 -7.448308 9.015115\n6.381329 7.448308 -9.015115\nSr Mg Hg\n2 1 1\ndirect\n0.743375 0.000000 0.743375 Sr\n0.256625 0.000000 0.256625 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Sr",
"density": 0.3876641252406366,
"density_atomic": 0.002333780279763739,
"volume": 1713.9574083661987,
"volume_molar": 258.04231924565124,
"formula_full": "Sr2 Mg1 Hg1",
"formula_reduced": "Sr2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.11959138,
"energy_per_atom": -0.279897845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.11959138,
"band_gap": 0.4559999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.160000Z",
"spacegroup": 71
},
{
"id": "mp-632250",
"created_at": "2022-09-04T14:45:20.751634Z",
"structure_string": "H1\n1.0\n-2.605000 2.605000 2.605000\n2.605000 -2.605000 2.605000\n2.605000 2.605000 -2.605000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.023670127850447698,
"density_atomic": 0.014142195147712436,
"volume": 70.7103805,
"volume_molar": 42.58278645641592,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.12145603,
"energy_per_atom": -1.12145603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.12145603,
"band_gap": 7.4222,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.478000Z",
"spacegroup": 229
},
{
"id": "mp-1093634",
"created_at": "2022-09-04T14:44:59.531857Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n-6.954643 7.766033 9.824773\n6.954643 -7.766033 9.824773\n6.954643 7.766033 -9.824773\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.749882 0.000000 0.749882 Mg\n0.250118 0.000000 0.250118 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mg"
],
"chemical_system": "Ba-Mg-Sr",
"density": 0.2140130914711982,
"density_atomic": 0.001884531504246206,
"volume": 2122.5434496516737,
"volume_molar": 319.55638557545876,
"formula_full": "Ba1 Sr1 Mg2",
"formula_reduced": "BaSrMg2",
"formula_anonymous": "ABC2",
"energy": -1.15450105,
"energy_per_atom": -0.2886252625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.15450105,
"band_gap": 0.0103999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.632000Z",
"spacegroup": 71
},
{
"id": "mp-1093909",
"created_at": "2022-09-04T14:40:55.988763Z",
"structure_string": "Sr1 Ca1 Mg2\n1.0\n-6.744167 7.470960 9.536885\n6.744167 -7.470960 9.536885\n6.744167 7.470960 -9.536885\nSr Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.753724 0.000000 0.753724 Mg\n0.246276 0.000000 0.246276 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Sr",
"density": 0.1523175173025896,
"density_atomic": 0.0020810797688747456,
"volume": 1922.0791340270575,
"volume_molar": 289.37577742424617,
"formula_full": "Sr1 Ca1 Mg2",
"formula_reduced": "SrCaMg2",
"formula_anonymous": "ABC2",
"energy": -1.16138882,
"energy_per_atom": -0.290347205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.16138882,
"band_gap": 0.0525999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.038000Z",
"spacegroup": 71
},
{
"id": "mp-1093823",
"created_at": "2022-09-04T14:45:27.883366Z",
"structure_string": "Ca1 Mg1 Cd2\n1.0\n-6.457505 6.705527 9.132957\n6.457505 -6.705527 9.132957\n6.457505 6.705527 -9.132957\nCa Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.238935 0.000000 0.238935 Cd\n0.761065 0.000000 0.761065 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 0.30358885463341156,
"density_atomic": 0.002528662805140144,
"volume": 1581.8637391545415,
"volume_molar": 238.1551525082143,
"formula_full": "Ca1 Mg1 Cd2",
"formula_reduced": "CaMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.16421649,
"energy_per_atom": -0.2910541225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.16421649,
"band_gap": 0.08,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.842000Z",
"spacegroup": 71
},
{
"id": "mp-1095876",
"created_at": "2022-09-04T14:39:58.024201Z",
"structure_string": "Ca1 Mg1 Zn2\n1.0\n-6.274859 6.395490 8.846320\n6.274859 -6.395490 8.846320\n6.274859 6.395490 -8.846320\nCa Mg Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.237021 0.000000 0.237021 Zn\n0.762979 0.000000 0.762979 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 0.22826046811260883,
"density_atomic": 0.002816823006834309,
"volume": 1420.0395233548616,
"volume_molar": 213.7919473601571,
"formula_full": "Ca1 Mg1 Zn2",
"formula_reduced": "CaMgZn2",
"formula_anonymous": "ABC2",
"energy": -1.1768391,
"energy_per_atom": -0.294209775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.1768391,
"band_gap": 0.0776000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.232000Z",
"spacegroup": 71
}
]
}