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=nelements&page=20",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=18",
"results": [
{
"id": "mp-666931",
"created_at": "2022-09-04T14:44:16.167184Z",
"structure_string": "S32\n1.0\n0.000000 7.386536 12.734745\n6.162454 0.000000 12.734745\n6.162454 7.386536 0.000000\nS\n32\ndirect\n0.867606 0.043695 0.746621 S\n0.851359 0.737775 0.041775 S\n0.746100 0.842553 0.867043 S\n0.040267 0.872288 0.850387 S\n0.128649 0.959381 0.262984 S\n0.157312 0.254180 0.962311 S\n0.260536 0.147666 0.130503 S\n0.954825 0.133747 0.152578 S\n0.769358 0.238868 0.794541 S\n0.692034 0.797618 0.240151 S\n0.793496 0.695510 0.762614 S\n0.247137 0.762957 0.697399 S\n0.230058 0.756224 0.203718 S\n0.301909 0.209130 0.752806 S\n0.209141 0.302274 0.236135 S\n0.752204 0.233088 0.305719 S\n0.862926 0.294980 0.617259 S\n0.730953 0.617464 0.293588 S\n0.623389 0.721029 0.860793 S\n0.294175 0.856596 0.726257 S\n0.146087 0.698610 0.378903 S\n0.276272 0.375432 0.705321 S\n0.378425 0.272405 0.145097 S\n0.706005 0.136555 0.273999 S\n0.028931 0.229169 0.671258 S\n0.573878 0.672984 0.227245 S\n0.670280 0.575940 0.026431 S\n0.231063 0.020995 0.573527 S\n0.971094 0.771097 0.328234 S\n0.422847 0.330484 0.768297 S\n0.326313 0.425957 0.980072 S\n0.771945 0.975415 0.426861 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.469655559945604,
"density_atomic": 0.02760166116877462,
"volume": 1159.350511707649,
"volume_molar": 21.81803741150466,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -131.70315189,
"energy_per_atom": -4.1157234965625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.70315189,
"band_gap": 2.6034,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.980000Z",
"spacegroup": 5
},
{
"id": "mp-1056376",
"created_at": "2022-09-04T14:44:18.360723Z",
"structure_string": "Zr1\n1.0\n1.505662 -2.607883 0.000000\n1.505662 2.607883 0.000000\n0.000000 0.000000 3.037038\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.35129659555715,
"density_atomic": 0.04192800372727767,
"volume": 23.850408106823757,
"volume_molar": 14.363051480273777,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -8.18592099,
"energy_per_atom": -8.18592099,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.18592099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.285000Z",
"spacegroup": 191
},
{
"id": "mp-8640",
"created_at": "2022-09-04T14:47:28.745801Z",
"structure_string": "Hf1\n1.0\n0.000000 2.240735 2.240735\n2.240735 0.000000 2.240735\n2.240735 2.240735 0.000000\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.172296499762645,
"density_atomic": 0.044442503042993506,
"volume": 22.500982877418128,
"volume_molar": 13.55040861261618,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -9.88478064,
"energy_per_atom": -9.88478064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.88478064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.047000Z",
"spacegroup": 225
},
{
"id": "mp-126",
"created_at": "2022-09-04T14:44:21.944044Z",
"structure_string": "Pt1\n1.0\n0.000000 1.988385 1.988385\n1.988385 0.000000 1.988385\n1.988385 1.988385 0.000000\nPt\n1\ndirect\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pt"
],
"chemical_system": "Pt",
"density": 20.603420149296728,
"density_atomic": 0.06360167738992607,
"volume": 15.722855764781936,
"volume_molar": 9.468525056469428,
"formula_full": "Pt1",
"formula_reduced": "Pt",
"formula_anonymous": "A",
"energy": -6.07090771,
"energy_per_atom": -6.07090771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.07090771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0514353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.792000Z",
"spacegroup": 225
},
{
"id": "mp-1076920",
"created_at": "2022-09-04T14:44:23.994667Z",
"structure_string": "U1\n1.0\n1.433069 -2.482148 0.000000\n1.433069 2.482148 0.000000\n0.000000 0.000000 2.832045\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.617961832382314,
"density_atomic": 0.04963352040713929,
"volume": 20.147674228970466,
"volume_molar": 12.13321301934846,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.90615872,
"energy_per_atom": -10.90615872,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.90615872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.155000Z",
"spacegroup": 191
},
{
"id": "mp-1191581",
"created_at": "2022-09-04T14:44:27.151999Z",
"structure_string": "W25\n1.0\n0.000000 -2.633443 0.000000\n-9.067128 0.000000 2.475199\n3.450759 0.000000 -19.878079\nW\n25\ndirect\n0.500000 0.500000 0.000000 W\n0.500000 0.876101 0.920977 W\n0.500000 0.123899 0.079023 W\n0.500000 0.611707 0.391789 W\n0.500000 0.388293 0.608211 W\n0.500000 0.941167 0.803121 W\n0.500000 0.058833 0.196879 W\n0.500000 0.630061 0.764373 W\n0.500000 0.369939 0.235627 W\n0.500000 0.565166 0.882696 W\n0.500000 0.434834 0.117304 W\n0.500000 0.921449 0.428007 W\n0.500000 0.078551 0.571993 W\n0.500000 0.991001 0.311966 W\n0.500000 0.008999 0.688034 W\n0.500000 0.813085 0.039213 W\n0.500000 0.186915 0.960787 W\n0.500000 0.768578 0.534235 W\n0.500000 0.231422 0.465765 W\n0.500000 0.694871 0.646657 W\n0.500000 0.305129 0.353343 W\n0.500000 0.746121 0.155816 W\n0.500000 0.253879 0.844184 W\n0.500000 0.678883 0.273267 W\n0.500000 0.321117 0.726733 W\n",
"nsites": 25,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 16.878956556983074,
"density_atomic": 0.05529125995605104,
"volume": 452.1510274837573,
"volume_molar": 10.891668529143258,
"formula_full": "W25",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -294.42533286,
"energy_per_atom": -11.777013314400001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.42533286,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003679,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.707000Z",
"spacegroup": 10
},
{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 0.22762757150769555,
"density_atomic": 0.003420343522506185,
"volume": 292.3682938336179,
"volume_molar": 176.06830192270866,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.03268839,
"energy_per_atom": -1.03268839,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.03268839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.019000Z",
"spacegroup": 123
},
{
"id": "mp-11343",
"created_at": "2022-09-04T14:44:53.811303Z",
"structure_string": "Th1\n1.0\n-2.005547 2.005547 2.005547\n2.005547 -2.005547 2.005547\n2.005547 2.005547 -2.005547\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Th"
],
"chemical_system": "Th",
"density": 11.941250241983797,
"density_atomic": 0.03099142004223863,
"volume": 32.26699514372321,
"volume_molar": 19.43163866577376,
"formula_full": "Th1",
"formula_reduced": "Th",
"formula_anonymous": "A",
"energy": -7.25530224,
"energy_per_atom": -7.25530224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.25530224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.112000Z",
"spacegroup": 229
},
{
"id": "mp-10257",
"created_at": "2022-09-04T14:44:56.691243Z",
"structure_string": "Ni2\n1.0\n1.237139 -2.142788 0.000000\n1.237139 2.142788 0.000000\n0.000000 0.000000 4.070181\nNi\n2\ndirect\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 9.032894531270559,
"density_atomic": 0.09268054390501164,
"volume": 21.579502188180957,
"volume_molar": 6.497739985397687,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -11.50798865,
"energy_per_atom": -5.753994325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50798865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2669023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.795000Z",
"spacegroup": 194
},
{
"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-130",
"created_at": "2022-09-04T14:45:02.839716Z",
"structure_string": "P2\n1.0\n3.263180 -1.744436 0.000000\n3.263180 1.744436 0.000000\n2.330637 0.000000 2.873940\nP\n2\ndirect\n0.227773 0.227773 0.227773 P\n0.772227 0.772227 0.772227 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1439040720436666,
"density_atomic": 0.06112603585036584,
"volume": 32.71928192588707,
"volume_molar": 9.852006066190791,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.6553366,
"energy_per_atom": -5.3276683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.6553366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.871000Z",
"spacegroup": 166
},
{
"id": "mp-10641",
"created_at": "2022-09-04T14:46:00.561683Z",
"structure_string": "Sc1\n1.0\n-1.838692 1.838692 1.838692\n1.838692 -1.838692 1.838692\n1.838692 1.838692 -1.838692\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.0022645557526153,
"density_atomic": 0.04021731281916648,
"volume": 24.86491338932588,
"volume_molar": 14.974000841572915,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.23023766,
"energy_per_atom": -6.23023766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23023766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0707755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.804000Z",
"spacegroup": 229
}
]
}