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=formula_anonymous&page=34",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=32",
"results": [
{
"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-1184766",
"created_at": "2022-09-04T14:42:42.918303Z",
"structure_string": "Hg20\n1.0\n8.609921 0.000000 0.000000\n0.000000 8.609921 0.000000\n0.000000 0.000000 8.609921\nHg\n20\ndirect\n0.375000 0.204859 0.545141 Hg\n0.560878 0.560878 0.560878 Hg\n0.704859 0.954859 0.625000 Hg\n0.310878 0.810878 0.689122 Hg\n0.954859 0.625000 0.704859 Hg\n0.045141 0.125000 0.795141 Hg\n0.689122 0.310878 0.810878 Hg\n0.295141 0.454859 0.875000 Hg\n0.439122 0.060878 0.939122 Hg\n0.625000 0.704859 0.954859 Hg\n0.125000 0.795141 0.045141 Hg\n0.939122 0.439122 0.060878 Hg\n0.795141 0.045141 0.125000 Hg\n0.189122 0.189122 0.189122 Hg\n0.545141 0.375000 0.204859 Hg\n0.454859 0.875000 0.295141 Hg\n0.810878 0.689122 0.310878 Hg\n0.204859 0.545141 0.375000 Hg\n0.060878 0.939122 0.439122 Hg\n0.875000 0.295141 0.454859 Hg\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.437365009775842,
"density_atomic": 0.03133520179175948,
"volume": 638.2598118535045,
"volume_molar": 19.218452142164605,
"formula_full": "Hg20",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -6.05923205,
"energy_per_atom": -0.30296160250000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05923205,
"band_gap": 0.7609000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.851000Z",
"spacegroup": 213
},
{
"id": "mp-689577",
"created_at": "2022-09-04T14:48:16.503225Z",
"structure_string": "Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.10912172706669088,
"density_atomic": 0.0028584297327798594,
"volume": 349.8424287055982,
"volume_molar": 210.68003494853767,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -0.23878791,
"energy_per_atom": -0.23878791,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.23878791,
"band_gap": 1.1572999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:48.306000Z",
"spacegroup": 221
},
{
"id": "mp-144",
"created_at": "2022-09-04T14:48:07.447660Z",
"structure_string": "Ho2\n1.0\n1.804377 -3.125272 0.000000\n1.804377 3.125272 0.000000\n0.000000 0.000000 5.577528\nHo\n2\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.70748502529581,
"density_atomic": 0.03179385118882015,
"volume": 62.90524504635258,
"volume_molar": 18.9412120105714,
"formula_full": "Ho2",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -9.14413054,
"energy_per_atom": -4.57206527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.14413054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4864125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.502000Z",
"spacegroup": 194
},
{
"id": "mp-974400",
"created_at": "2022-09-04T14:46:04.505326Z",
"structure_string": "Kr1\n1.0\n-2.506583 2.506583 2.506583\n2.506583 -2.506583 2.506583\n2.506583 2.506583 -2.506583\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.2089022111343932,
"density_atomic": 0.01587426912948227,
"volume": 62.99502621779063,
"volume_molar": 37.93649150634256,
"formula_full": "Kr1",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.05441248,
"energy_per_atom": -0.05441248,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.05441248,
"band_gap": 7.1667,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.091000Z",
"spacegroup": 229
},
{
"id": "mp-976347",
"created_at": "2022-09-04T14:48:08.684692Z",
"structure_string": "Kr4\n1.0\n2.234396 -3.870087 0.000000\n2.234396 3.870087 0.000000\n0.000000 0.000000 15.054944\nKr\n4\ndirect\n0.000000 0.000000 0.000000 Kr\n0.333333 0.666667 0.250000 Kr\n0.000000 0.000000 0.500000 Kr\n0.666667 0.333333 0.750000 Kr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.1377293939629887,
"density_atomic": 0.015362785891887023,
"volume": 260.3694426355555,
"volume_molar": 39.199535828851516,
"formula_full": "Kr4",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.22298219,
"energy_per_atom": -0.0557455475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.22298219,
"band_gap": 7.56,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.266000Z",
"spacegroup": 194
},
{
"id": "mp-97",
"created_at": "2022-09-04T14:43:05.919019Z",
"structure_string": "Pr1\n1.0\n0.000000 2.634252 2.634252\n2.634252 0.000000 2.634252\n2.634252 2.634252 0.000000\nPr\n1\ndirect\n0.500000 0.500000 0.500000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.400025707051169,
"density_atomic": 0.02735256438440348,
"volume": 36.55964340112122,
"volume_molar": 22.01673186969571,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -4.77286121,
"energy_per_atom": -4.77286121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.77286121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030216,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.738000Z",
"spacegroup": 225
},
{
"id": "mp-1186427",
"created_at": "2022-09-04T14:45:57.955805Z",
"structure_string": "Pd4\n1.0\n1.398849 -2.422877 0.000000\n1.398849 2.422877 0.000000\n0.000000 0.000000 9.148043\nPd\n4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.333333 0.666667 0.250000 Pd\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.399136295945397,
"density_atomic": 0.06450592307867994,
"volume": 62.0098094731715,
"volume_molar": 9.335795028705506,
"formula_full": "Pd4",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy": -20.6926433,
"energy_per_atom": -5.173160825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.6926433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.732000Z",
"spacegroup": 194
},
{
"id": "mp-10631",
"created_at": "2022-09-04T14:40:59.500139Z",
"structure_string": "Sb1\n1.0\n-1.572519 1.572519 2.849152\n1.572519 -1.572519 2.849152\n1.572519 1.572519 -2.849152\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.17441217194662,
"density_atomic": 0.03548400130145425,
"volume": 28.18171466922522,
"volume_molar": 16.971425259623114,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8270613,
"energy_per_atom": -3.8270613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8270613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.956000Z",
"spacegroup": 139
},
{
"id": "mp-133",
"created_at": "2022-09-04T14:47:11.212721Z",
"structure_string": "Sb1\n1.0\n3.102692 0.000000 0.000000\n0.000000 3.102692 0.000000\n0.000000 0.000000 3.102692\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.7692061319205505,
"density_atomic": 0.03347988844774001,
"volume": 29.868677775343752,
"volume_molar": 17.987338187820377,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -4.07843691,
"energy_per_atom": -4.07843691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.07843691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003096,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.716000Z",
"spacegroup": 221
},
{
"id": "mp-134",
"created_at": "2022-09-04T14:47:09.666421Z",
"structure_string": "Al1\n1.0\n0.000000 2.019465 2.019465\n2.019465 0.000000 2.019465\n2.019465 2.019465 0.000000\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.7200495853324616,
"density_atomic": 0.060710108958398956,
"volume": 16.471721384740732,
"volume_molar": 9.919502473841082,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.74557583,
"energy_per_atom": -3.74557583,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.74557583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.724000Z",
"spacegroup": 225
},
{
"id": "mp-1179639",
"created_at": "2022-09-04T14:40:03.122087Z",
"structure_string": "S4\n1.0\n6.218004 -0.179953 0.000614\n-0.182999 6.262033 0.008871\n0.003813 0.010026 3.060894\nS\n4\ndirect\n0.347719 0.000985 0.750256 S\n0.652354 0.998876 0.749656 S\n0.005892 0.652013 0.248944 S\n0.994036 0.348126 0.251143 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.7885259679916965,
"density_atomic": 0.03359037934159799,
"volume": 119.08171561035157,
"volume_molar": 17.928171333695662,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.12564205,
"energy_per_atom": -3.7814105125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12564205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5543985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.737000Z",
"spacegroup": 66
}
]
}