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=-elements&page=12173",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12171",
"results": [
{
"id": "mp-850274",
"created_at": "2022-09-04T14:41:05.696555Z",
"structure_string": "H2\n1.0\n-1.820480 1.820480 1.719522\n1.820480 -1.820480 1.719522\n1.820480 1.820480 -1.719522\nH\n2\ndirect\n0.109061 0.109061 0.000000 H\n0.890939 0.890939 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1468500914916668,
"density_atomic": 0.08773854811668441,
"volume": 22.794997671265076,
"volume_molar": 6.8637342300115245,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.77839157,
"energy_per_atom": -3.389195785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.77839157,
"band_gap": 8.5338,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.080000Z",
"spacegroup": 139
},
{
"id": "mp-1066989",
"created_at": "2022-09-04T14:48:05.537059Z",
"structure_string": "H2\n1.0\n1.312194 -2.252960 0.000000\n1.312194 2.252960 0.000000\n0.000000 0.000000 2.608958\nH\n2\ndirect\n0.582655 0.417345 0.000000 H\n0.417345 0.582655 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.2170027119837974,
"density_atomic": 0.12965264572492172,
"volume": 15.425832529814404,
"volume_molar": 4.644826741736463,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.68052013,
"energy_per_atom": -3.340260065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.68052013,
"band_gap": 6.2332,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.242000Z",
"spacegroup": 65
},
{
"id": "mp-730101",
"created_at": "2022-09-04T14:48:05.647946Z",
"structure_string": "H8\n1.0\n7.177739 0.000000 0.000000\n0.000000 7.194118 0.000000\n0.000000 0.000000 7.215497\nH\n8\ndirect\n0.365603 0.722217 0.646779 H\n0.865603 0.777783 0.353221 H\n0.634397 0.222217 0.853221 H\n0.134397 0.277783 0.146779 H\n0.644591 0.148776 0.779789 H\n0.144591 0.351224 0.220211 H\n0.355409 0.648776 0.720211 H\n0.855409 0.851224 0.279789 H\n",
"nsites": 8,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03593703935465495,
"density_atomic": 0.021471308765023817,
"volume": 372.590236000508,
"volume_molar": 28.047385587458486,
"formula_full": "H8",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -27.10739207,
"energy_per_atom": -3.38842400875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.10739207,
"band_gap": 9.7197,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.063000Z",
"spacegroup": 19
},
{
"id": "mp-632172",
"created_at": "2022-09-04T14:42:43.457821Z",
"structure_string": "H2\n1.0\n-2.228394 2.228394 1.573944\n2.228394 -2.228394 1.573944\n2.228394 2.228394 -1.573944\nH\n2\ndirect\n0.880842 0.880842 0.000000 H\n0.119158 0.119158 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.10707314152038881,
"density_atomic": 0.0639730073292075,
"volume": 31.263185576190356,
"volume_molar": 9.413565207291,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.7841656,
"energy_per_atom": -3.3920828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.7841656,
"band_gap": 9.3289,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.322000Z",
"spacegroup": 139
},
{
"id": "mp-23907",
"created_at": "2022-09-04T14:47:07.909560Z",
"structure_string": "H2\n1.0\n1.950199 -3.377844 0.000000\n1.950199 3.377844 0.000000\n0.000000 0.000000 6.355691\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03997628985771613,
"density_atomic": 0.023884640421942032,
"volume": 83.73582204581426,
"volume_molar": 25.213445350710234,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -2.23482046,
"energy_per_atom": -1.11741023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.23482046,
"band_gap": 7.4848,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.863000Z",
"spacegroup": 194
},
{
"id": "mp-754417",
"created_at": "2022-09-04T14:47:20.839352Z",
"structure_string": "H1\n1.0\n1.425318 -2.468723 0.000000\n1.425318 2.468723 0.000000\n0.000000 0.000000 0.984187\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24165290766723713,
"density_atomic": 0.14438040216067372,
"volume": 6.926147766835766,
"volume_molar": 4.171023677644464,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.01370105,
"energy_per_atom": -3.01370105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01370105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.507000Z",
"spacegroup": 191
},
{
"id": "mp-731827",
"created_at": "2022-09-04T14:41:54.087290Z",
"structure_string": "H16\n1.0\n4.372639 0.000000 0.000000\n0.000000 6.039404 0.000000\n0.000000 0.000000 9.854266\nH\n16\ndirect\n0.256709 0.535311 0.750000 H\n0.243291 0.035311 0.750000 H\n0.743291 0.464689 0.250000 H\n0.756709 0.964689 0.250000 H\n0.400902 0.602675 0.750000 H\n0.099098 0.102675 0.750000 H\n0.599098 0.397325 0.250000 H\n0.900902 0.897325 0.250000 H\n0.038430 0.444921 0.995282 H\n0.461570 0.944921 0.504718 H\n0.961570 0.555079 0.495282 H\n0.538430 0.055079 0.004718 H\n0.961570 0.555079 0.004718 H\n0.538430 0.055079 0.495282 H\n0.038430 0.444921 0.504718 H\n0.461570 0.944921 0.995282 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1029062549219012,
"density_atomic": 0.06148341691353577,
"volume": 260.23277174885754,
"volume_molar": 9.794739886478572,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -54.2248553,
"energy_per_atom": -3.38905345625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.2248553,
"band_gap": 8.1932,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.043000Z",
"spacegroup": 62
},
{
"id": "mp-1181265",
"created_at": "2022-09-04T14:41:19.239506Z",
"structure_string": "H16\n1.0\n6.061511 0.000000 0.000000\n0.000000 6.507494 0.000000\n0.000000 0.000000 9.083183\nH\n16\ndirect\n0.750000 0.114251 0.817708 H\n0.750000 0.385749 0.317708 H\n0.250000 0.885749 0.182292 H\n0.250000 0.614251 0.682292 H\n0.750000 0.204237 0.049089 H\n0.750000 0.295763 0.549089 H\n0.250000 0.795763 0.950911 H\n0.250000 0.704237 0.450911 H\n0.903664 0.205616 0.044758 H\n0.596336 0.294384 0.544758 H\n0.403664 0.794384 0.955242 H\n0.096336 0.705616 0.455242 H\n0.096336 0.794384 0.955242 H\n0.403664 0.705616 0.455242 H\n0.596336 0.205616 0.044758 H\n0.903664 0.294384 0.544758 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.07474308556607644,
"density_atomic": 0.04465676352473224,
"volume": 358.28839210747384,
"volume_molar": 13.485394562158001,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -35.19699029,
"energy_per_atom": -2.199811893125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.19699029,
"band_gap": 1.5177999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.321000Z",
"spacegroup": 62
},
{
"id": "mp-1096977",
"created_at": "2022-09-04T14:44:29.481562Z",
"structure_string": "H1\n1.0\n2.612964 0.000000 0.000000\n0.000000 2.612964 0.000000\n0.000000 0.000000 0.985799\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24867295324987948,
"density_atomic": 0.14857466993999568,
"volume": 6.730622389427931,
"volume_molar": 4.053275543154253,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.00810299,
"energy_per_atom": -3.00810299,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.00810299,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.914000Z",
"spacegroup": 123
},
{
"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-1188177",
"created_at": "2022-09-04T14:44:56.655303Z",
"structure_string": "H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.21005122513482502,
"density_atomic": 0.12549933974338837,
"volume": 127.49071057039504,
"volume_molar": 4.798543779045867,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -53.71851732,
"energy_per_atom": -3.3574073325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.71851732,
"band_gap": 7.3865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.948000Z",
"spacegroup": 62
},
{
"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
}
]
}