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=61",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=59",
"results": [
{
"id": "mp-1981700",
"created_at": "2022-09-04T14:48:23.743240Z",
"structure_string": "U8\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-5.694018 2.910986 0.000000\nU\n8\ndirect\n0.000000 0.217589 0.000000 U\n0.000000 0.782411 0.000000 U\n0.500000 0.403367 0.247496 U\n0.500000 0.155872 0.752504 U\n0.500000 0.596633 0.752504 U\n0.500000 0.844128 0.247496 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n",
"nsites": 8,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.91378993596806,
"density_atomic": 0.04785196274638782,
"volume": 167.18227510122128,
"volume_molar": 12.584939915457474,
"formula_full": "U8",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -87.45485768,
"energy_per_atom": -10.93185721,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.45485768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:32.350000Z",
"spacegroup": 65
},
{
"id": "mp-976411",
"created_at": "2022-09-04T14:39:46.779491Z",
"structure_string": "Li4\n1.0\n1.535535 -2.659625 0.000000\n1.535535 2.659625 0.000000\n0.000000 0.000000 9.825363\nLi\n4\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.250000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5744766835932253,
"density_atomic": 0.04984266608747936,
"volume": 80.25252888718995,
"volume_molar": 12.0823006326156,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -7.62450131,
"energy_per_atom": -1.9061253275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.62450131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.452000Z",
"spacegroup": 194
},
{
"id": "mp-568610",
"created_at": "2022-09-04T14:43:08.370312Z",
"structure_string": "Bi1\n1.0\n-1.993848 1.993848 1.993848\n1.993848 -1.993848 1.993848\n1.993848 1.993848 -1.993848\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 10.945069438495326,
"density_atomic": 0.03154015822027858,
"volume": 31.70561139915447,
"volume_molar": 19.093565472756875,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -3.75067891,
"energy_per_atom": -3.75067891,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.75067891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.64e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.241000Z",
"spacegroup": 229
},
{
"id": "mp-972351",
"created_at": "2022-09-04T14:39:10.989706Z",
"structure_string": "Tl3\n1.0\n8.303442 -1.825894 0.000000\n8.303442 1.825894 0.000000\n7.901935 0.000000 3.136951\nTl\n3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.220598 0.220598 0.220598 Tl\n0.779402 0.779402 0.779402 Tl\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.703955888179133,
"density_atomic": 0.03153913703796827,
"volume": 95.11991391484369,
"volume_molar": 19.09418368914238,
"formula_full": "Tl3",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -7.08792944,
"energy_per_atom": -2.3626431466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.08792944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.817000Z",
"spacegroup": 166
},
{
"id": "mp-1008681",
"created_at": "2022-09-04T14:42:19.616764Z",
"structure_string": "Sc1\n1.0\n2.989426 0.000000 0.000000\n0.000000 2.989426 0.000000\n0.000000 0.000000 2.989426\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.7942965058753915,
"density_atomic": 0.03743144369837954,
"volume": 26.715507103010598,
"volume_molar": 16.088454424910964,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -5.61301517,
"energy_per_atom": -5.61301517,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.61301517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9076781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.836000Z",
"spacegroup": 221
},
{
"id": "mp-994911",
"created_at": "2022-09-04T14:39:22.556147Z",
"structure_string": "S8\n1.0\n16.929711 0.000000 0.000000\n0.000000 16.929711 0.000000\n0.000000 0.000000 20.448418\nS\n8\ndirect\n0.359488 0.500000 0.416253 S\n0.400785 0.400785 0.463747 S\n0.400785 0.599215 0.463747 S\n0.500000 0.359488 0.416253 S\n0.500000 0.640512 0.416253 S\n0.599215 0.400785 0.463747 S\n0.599215 0.599215 0.463747 S\n0.640512 0.500000 0.416253 S\n",
"nsites": 8,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 0.07267943213881507,
"density_atomic": 0.0013649953870203248,
"volume": 5860.825667303798,
"volume_molar": 441.18396422905505,
"formula_full": "S8",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -33.00683176,
"energy_per_atom": -4.12585397,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.00683176,
"band_gap": 3.3265,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.815000Z",
"spacegroup": 99
},
{
"id": "mp-568345",
"created_at": "2022-09-04T14:46:35.558540Z",
"structure_string": "Fe1\n1.0\n2.375663 0.000000 0.000000\n0.000000 2.375663 0.000000\n0.000000 0.000000 2.375663\nFe\n1\ndirect\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 6.916380718764021,
"density_atomic": 0.0745839703689511,
"volume": 13.407706710345558,
"volume_molar": 8.07430970784975,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.70860905,
"energy_per_atom": -7.70860905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.70860905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4121917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.812000Z",
"spacegroup": 221
},
{
"id": "mp-632329",
"created_at": "2022-09-04T14:44:22.471252Z",
"structure_string": "C2\n1.0\n1.237044 2.131760 0.000000\n-1.237044 2.131760 0.000000\n0.000000 0.260309 3.729055\nC\n2\ndirect\n0.833817 0.833817 0.999905 C\n0.166183 0.166183 0.000095 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.028127117662893,
"density_atomic": 0.10168988473577566,
"volume": 19.66763956116844,
"volume_molar": 5.922064692715049,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.42910687,
"energy_per_atom": -9.214553435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.42910687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.326000Z",
"spacegroup": 12
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-1178952",
"created_at": "2022-09-04T14:45:24.865588Z",
"structure_string": "Te4\n1.0\n3.130769 0.000000 0.000000\n0.000000 4.742908 0.000000\n0.000000 0.000000 8.985613\nTe\n4\ndirect\n0.500000 0.545271 0.760814 Te\n0.500000 0.454729 0.260814 Te\n0.500000 0.987468 0.009186 Te\n0.500000 0.012532 0.509186 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.352085390179579,
"density_atomic": 0.02997895952384046,
"volume": 133.42691219216735,
"volume_molar": 20.087891159834797,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.37668086,
"energy_per_atom": -3.094170215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37668086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.527000Z",
"spacegroup": 26
},
{
"id": "mp-135",
"created_at": "2022-09-04T14:45:03.944801Z",
"structure_string": "Li1\n1.0\n-1.713409 1.713409 1.713409\n1.713409 -1.713409 1.713409\n1.713409 1.713409 -1.713409\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5728329870110183,
"density_atomic": 0.04970005591332286,
"volume": 20.120701709953906,
"volume_molar": 12.116969788731513,
"formula_full": "Li1",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -1.90379596,
"energy_per_atom": -1.90379596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.90379596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.373000Z",
"spacegroup": 229
},
{
"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
}
]
}