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=-nsites&page=12179",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12177",
"results": [
{
"id": "mp-1056702",
"created_at": "2022-09-04T14:44:07.550735Z",
"structure_string": "Mg1\n1.0\n0.000000 2.252800 2.252800\n2.252800 0.000000 2.252800\n2.252800 2.252800 0.000000\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.765008555285139,
"density_atomic": 0.04373227717014831,
"volume": 22.866405883904,
"volume_molar": 13.770471490816211,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.60028005,
"energy_per_atom": -1.60028005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.60028005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.591000Z",
"spacegroup": 225
},
{
"id": "mp-55",
"created_at": "2022-09-04T14:44:02.013870Z",
"structure_string": "Sn1\n1.0\n-2.021453 2.021453 1.702246\n2.021453 -2.021453 1.702246\n2.021453 2.021453 -1.702246\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.084786909718077,
"density_atomic": 0.0359410193241277,
"volume": 27.823362241946384,
"volume_molar": 16.75562038374703,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.94648406,
"energy_per_atom": -3.94648406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.94648406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005855,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.984000Z",
"spacegroup": 139
},
{
"id": "mp-1977763",
"created_at": "2022-09-04T14:43:22.206173Z",
"structure_string": "Ba1\n1.0\n-3.605539 0.000000 0.000000\n0.000000 0.000000 -3.996080\n0.000000 -4.003220 0.000000\nBa\n1\ndirect\n0.500000 0.500000 0.500000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.953586096865328,
"density_atomic": 0.01733748788681752,
"volume": 57.678482980244524,
"volume_molar": 34.73479433302968,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.5597617,
"energy_per_atom": -1.5597617,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.5597617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017834,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.445000Z",
"spacegroup": 123
},
{
"id": "mp-998890",
"created_at": "2022-09-04T14:43:21.824903Z",
"structure_string": "Cu1\n1.0\n-1.436327 1.436327 1.436327\n1.436327 -1.436327 1.436327\n1.436327 1.436327 -1.436327\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.902610058969953,
"density_atomic": 0.08436844321442166,
"volume": 11.852772931444388,
"volume_molar": 7.137906698947594,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -4.06256665,
"energy_per_atom": -4.06256665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.06256665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.329000Z",
"spacegroup": 229
},
{
"id": "mp-1181096",
"created_at": "2022-09-04T14:43:21.985509Z",
"structure_string": "Hg1\n1.0\n1.997977 1.861273 3.254945\n-1.479926 2.172191 2.451138\n-1.544498 -3.043489 -0.084433\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.142603741628614,
"density_atomic": 0.03045026543003051,
"volume": 32.84043622863744,
"volume_molar": 19.77697295886582,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.2910383,
"energy_per_atom": -0.2910383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.2910383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.670000Z",
"spacegroup": 69
},
{
"id": "mp-10750",
"created_at": "2022-09-04T14:45:15.420176Z",
"structure_string": "Dy1\n1.0\n0.000000 2.505869 2.505869\n2.505869 0.000000 2.505869\n2.505869 2.505869 0.000000\nDy\n1\ndirect\n0.500000 0.500000 0.500000 Dy\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.574274371555358,
"density_atomic": 0.03177568442966833,
"volume": 31.470604581732307,
"volume_molar": 18.952041059349284,
"formula_full": "Dy1",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -4.58546351,
"energy_per_atom": -4.58546351,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.58546351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.404000Z",
"spacegroup": 225
},
{
"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
},
{
"id": "mp-166",
"created_at": "2022-09-04T14:45:15.332479Z",
"structure_string": "Ca1\n1.0\n-2.245020 2.245020 2.097502\n2.245020 -2.245020 2.097502\n2.245020 2.245020 -2.097502\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5738101244536746,
"density_atomic": 0.023648151360468182,
"volume": 42.286603496274395,
"volume_molar": 25.465587851687253,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.98438209,
"energy_per_atom": -1.98438209,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.98438209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.720000Z",
"spacegroup": 139
},
{
"id": "mp-10869",
"created_at": "2022-09-04T14:41:26.759513Z",
"structure_string": "S1\n1.0\n2.575968 0.000000 0.000000\n0.000000 2.575968 0.000000\n0.000000 0.000000 2.575968\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.1150064527763854,
"density_atomic": 0.05850306356903289,
"volume": 17.09312194941744,
"volume_molar": 10.293718640723743,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -3.51000844,
"energy_per_atom": -3.51000844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51000844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.088000Z",
"spacegroup": 221
},
{
"id": "mp-10654",
"created_at": "2022-09-04T14:40:09.085617Z",
"structure_string": "Te1\n1.0\n3.197462 0.000000 0.000000\n0.000000 3.197462 0.000000\n0.000000 0.000000 3.197462\nTe\n1\ndirect\n0.500000 0.500000 0.500000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.481620453792556,
"density_atomic": 0.030590306221883155,
"volume": 32.69009446151401,
"volume_molar": 19.686435030493374,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.09675431,
"energy_per_atom": -3.09675431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.09675431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.250000Z",
"spacegroup": 221
},
{
"id": "mp-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6827233788539964,
"density_atomic": 0.05987700721108859,
"volume": 16.7009015075625,
"volume_molar": 10.057517969743758,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.65313185,
"energy_per_atom": -3.65313185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.65313185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.505000Z",
"spacegroup": 229
},
{
"id": "mp-975519",
"created_at": "2022-09-04T14:39:18.207240Z",
"structure_string": "Rb1\n1.0\n-2.468885 2.468885 3.730519\n2.468885 -2.468885 3.730519\n2.468885 2.468885 -3.730519\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5603450688293747,
"density_atomic": 0.01099433662959577,
"volume": 90.95591973308235,
"volume_molar": 54.77493515878835,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96390686,
"energy_per_atom": -0.96390686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96390686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.326000Z",
"spacegroup": 139
}
]
}