HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1556",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1554",
"results": [
{
"id": "jvasp-96839",
"created_at": "2022-09-04T14:36:32.925675Z",
"updated_at": "2022-09-04T14:36:32.925699Z",
"structure_string": "Al6 H18\n1.0\n5.414222 0.000000 -0.000000\n0.000000 5.809912 0.000000\n-0.000000 0.000000 7.391115\nAl H\n6 18\ndirect\n0.212055 0.000000 0.913108 Al\n0.787944 0.000000 0.086893 Al\n0.712055 0.500000 0.586893 Al\n0.000000 0.500000 0.000000 Al\n0.287944 0.500000 0.413107 Al\n0.500000 0.000000 0.500000 Al\n0.297697 0.201852 0.414671 H\n0.202303 0.298148 0.914672 H\n0.702303 0.201852 0.585329 H\n0.297697 0.798148 0.414671 H\n0.322624 0.000000 0.697595 H\n0.900394 0.000000 0.861527 H\n0.500000 0.000000 0.000000 H\n0.177376 0.500000 0.197594 H\n0.599605 0.500000 0.361527 H\n0.702303 0.798148 0.585329 H\n0.797697 0.298148 0.085329 H\n0.677376 0.000000 0.302406 H\n0.202303 0.701852 0.914672 H\n0.822624 0.500000 0.802406 H\n0.099606 0.000000 0.138473 H\n0.797697 0.701852 0.085329 H\n0.400394 0.500000 0.638474 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Al",
"H"
],
"chemical_system": "Al-H",
"density": 1.2858301241172008,
"density_atomic": 0.10322756154039797,
"volume": 232.49604700395477,
"volume_molar": 5.833849671672466,
"formula_full": "Al6 H18",
"formula_reduced": "AlH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3264007,
"spacegroup": 58
},
{
"id": "jvasp-23918",
"created_at": "2022-09-04T14:37:43.845829Z",
"updated_at": "2022-09-04T14:37:43.845856Z",
"structure_string": "Al8 Bi4 O18\n1.0\n5.750568 0.000000 0.000000\n0.000000 7.742160 0.000000\n0.000000 -0.000000 8.228629\nAl Bi O\n8 4 18\ndirect\n0.500000 0.147963 0.838046 Al\n0.500000 0.852037 0.161954 Al\n0.500000 0.647963 0.661954 Al\n0.500000 0.352037 0.338046 Al\n0.260323 0.000000 0.500000 Al\n0.739678 0.500000 0.000000 Al\n0.739678 0.000000 0.500000 Al\n0.260323 0.500000 0.000000 Al\n0.000000 0.165681 0.167453 Bi\n0.000000 0.834319 0.832547 Bi\n0.000000 0.665681 0.332547 Bi\n0.000000 0.334319 0.667453 Bi\n0.250676 0.623982 0.792755 O\n0.250676 0.376018 0.207245 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.749324 0.623982 0.792755 O\n0.749324 0.376018 0.207245 O\n0.250676 0.123982 0.707245 O\n0.250676 0.876018 0.292755 O\n0.000000 0.855355 0.565792 O\n0.500000 0.861760 0.585566 O\n0.500000 0.638240 0.085566 O\n0.500000 0.361760 0.914434 O\n0.000000 0.144645 0.434208 O\n0.749324 0.876018 0.292755 O\n0.000000 0.644645 0.065792 O\n0.000000 0.355355 0.934208 O\n0.500000 0.138240 0.414434 O\n0.749324 0.123982 0.707245 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 6.072628941113425,
"density_atomic": 0.08188811747181471,
"volume": 366.3535189989656,
"volume_molar": 7.354108197777019,
"formula_full": "Al8 Bi4 O18",
"formula_reduced": "Al4Bi2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.3262087533333333,
"spacegroup": 55
},
{
"id": "jvasp-19627",
"created_at": "2022-09-04T14:37:54.671625Z",
"updated_at": "2022-09-04T14:37:54.671644Z",
"structure_string": "Ti2 O1\n1.0\n1.483800 -2.570017 -0.000000\n1.483800 2.570017 0.000000\n-0.000000 0.000000 4.815617\nTi O\n2 1\ndirect\n0.333333 0.666667 0.731566 Ti\n0.666667 0.333333 0.268435 Ti\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.05171468831115,
"density_atomic": 0.08168229985720253,
"volume": 36.72766321766915,
"volume_molar": 7.372638589422606,
"formula_full": "Ti2 O1",
"formula_reduced": "Ti2O",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3261000555555555,
"spacegroup": 164
},
{
"id": "jvasp-311",
"created_at": "2022-09-04T14:36:46.026887Z",
"updated_at": "2022-09-04T14:36:46.026898Z",
"structure_string": "Ti2 O1\n1.0\n1.483800 -2.570017 0.000000\n1.483800 2.570017 0.000000\n0.000000 0.000000 4.815617\nTi O\n2 1\ndirect\n0.333333 0.666667 0.731566 Ti\n0.666667 0.333333 0.268435 Ti\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.05171468831115,
"density_atomic": 0.08168229985720253,
"volume": 36.72766321766915,
"volume_molar": 7.372638589422606,
"formula_full": "Ti2 O1",
"formula_reduced": "Ti2O",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3261000555555555,
"spacegroup": 164
},
{
"id": "jvasp-189",
"created_at": "2022-09-04T14:37:44.418218Z",
"updated_at": "2022-09-04T14:37:44.418234Z",
"structure_string": "Cr1 S2\n1.0\n3.339578 0.000000 0.000000\n-1.669789 2.892172 -0.000017\n0.000000 -0.000435 5.383111\nCr S\n1 2\ndirect\n0.999963 0.000000 0.000000 Cr\n0.333316 0.666694 0.250280 S\n0.666622 0.333307 0.749719 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 3.708769944158065,
"density_atomic": 0.05769952144581351,
"volume": 51.99349881640431,
"volume_molar": 10.437072282576004,
"formula_full": "Cr1 S2",
"formula_reduced": "CrS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.325812466666667,
"spacegroup": 164
},
{
"id": "jvasp-71087",
"created_at": "2022-09-04T14:35:43.706070Z",
"updated_at": "2022-09-04T14:35:43.706096Z",
"structure_string": "Sr1 Be2 Tc1\n1.0\n3.186639 -3.508202 0.000000\n3.186639 3.508202 0.000000\n0.000000 0.000000 2.746412\nSr Be Tc\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Tc"
],
"chemical_system": "Be-Sr-Tc",
"density": 5.506914708955116,
"density_atomic": 0.06513986420385827,
"volume": 61.406330039034344,
"volume_molar": 9.244939076252027,
"formula_full": "Sr1 Be2 Tc1",
"formula_reduced": "SrBe2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3257150025,
"spacegroup": 65
},
{
"id": "jvasp-59717",
"created_at": "2022-09-04T14:37:29.957137Z",
"updated_at": "2022-09-04T14:37:29.957160Z",
"structure_string": "Si4 As8\n1.0\n6.141131 -0.000000 0.000000\n-0.000000 6.141131 -0.000000\n-0.000000 0.000000 6.141131\nSi As\n4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.384742 0.384742 0.384742 As\n0.115258 0.615258 0.884742 As\n0.884742 0.115258 0.615258 As\n0.615258 0.884742 0.115258 As\n0.615258 0.615258 0.615258 As\n0.884742 0.384742 0.115258 As\n0.115258 0.884742 0.384742 As\n0.384742 0.115258 0.884742 As\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"As"
],
"chemical_system": "As-Si",
"density": 5.102817185252602,
"density_atomic": 0.051812692453928604,
"volume": 231.60348230639232,
"volume_molar": 11.6229064246272,
"formula_full": "Si4 As8",
"formula_reduced": "SiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3256907,
"spacegroup": 205
},
{
"id": "jvasp-55028",
"created_at": "2022-09-04T14:37:55.611154Z",
"updated_at": "2022-09-04T14:37:55.611185Z",
"structure_string": "Be12 Pt1\n1.0\n3.872380 -0.000000 1.608783\n1.936191 5.123838 0.804392\n-0.029614 0.000000 5.536127\nBe Pt\n12 1\ndirect\n0.000000 0.652073 0.347927 Be\n-0.000000 0.500000 -0.000000 Be\n0.652073 0.347927 0.347927 Be\n0.500001 0.226112 0.773888 Be\n0.000001 0.347927 0.652073 Be\n0.500000 0.000000 0.500000 Be\n0.347927 0.652073 0.652073 Be\n0.273888 0.226112 0.226112 Be\n0.500000 0.773889 0.226111 Be\n0.000000 -0.000000 0.500000 Be\n0.726112 0.773889 0.773888 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Pt"
],
"chemical_system": "Be-Pt",
"density": 4.573809210290149,
"density_atomic": 0.11808639653185543,
"volume": 110.08888730458526,
"volume_molar": 5.099775195846072,
"formula_full": "Be12 Pt1",
"formula_reduced": "Be12Pt",
"formula_anonymous": "AB12",
"energy_above_hull": 2.3256880461538465,
"spacegroup": 139
},
{
"id": "jvasp-50044",
"created_at": "2022-09-04T14:37:37.300809Z",
"updated_at": "2022-09-04T14:37:37.300826Z",
"structure_string": "Ti2 Bi4 O10\n1.0\n0.000000 4.018153 0.000000\n-6.186986 2.009076 -0.000000\n-0.000000 0.000000 10.351985\nTi Bi O\n2 4 10\ndirect\n0.162400 0.675202 0.250000 Ti\n0.837600 0.324799 0.750000 Ti\n0.141779 0.716442 0.924425 Bi\n0.141779 0.716442 0.575576 Bi\n0.858221 0.283558 0.075576 Bi\n0.858221 0.283558 0.424424 Bi\n0.061292 0.877418 0.381473 O\n0.061292 0.877418 0.118527 O\n0.724721 0.550559 0.914369 O\n0.724721 0.550559 0.585632 O\n0.295536 0.408930 0.750000 O\n0.704464 0.591071 0.250000 O\n0.275279 0.449442 0.085632 O\n0.275279 0.449442 0.414369 O\n0.938708 0.122583 0.618527 O\n0.938708 0.122583 0.881474 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.043736818620169,
"density_atomic": 0.06217141414282991,
"volume": 257.3530009023487,
"volume_molar": 9.686349977764692,
"formula_full": "Ti2 Bi4 O10",
"formula_reduced": "TiBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3256293041666667,
"spacegroup": 63
},
{
"id": "jvasp-86453",
"created_at": "2022-09-04T14:35:47.905512Z",
"updated_at": "2022-09-04T14:35:47.905543Z",
"structure_string": "Cu2 Rh4 O8\n1.0\n5.330429 -0.238212 -2.885410\n-3.382200 5.027265 -0.288337\n-0.160262 0.238212 6.059156\nCu Rh O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.750001 0.250000 Cu\n0.750000 0.375001 0.125000 Rh\n0.750001 0.375000 0.625000 Rh\n0.250000 0.375000 0.625000 Rh\n0.250001 0.875001 0.625000 Rh\n0.226886 0.613410 0.386523 O\n0.773115 0.159637 0.386523 O\n0.726886 0.136523 0.863410 O\n0.773115 0.613478 0.386591 O\n0.226886 0.613478 0.840364 O\n0.273115 0.136591 0.863478 O\n0.273115 0.136523 0.409637 O\n0.726886 0.590364 0.863478 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Rh",
"O"
],
"chemical_system": "Cu-O-Rh",
"density": 7.013889167905143,
"density_atomic": 0.08869545973306674,
"volume": 157.84347972414457,
"volume_molar": 6.789683235335746,
"formula_full": "Cu2 Rh4 O8",
"formula_reduced": "Cu(RhO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.32547435,
"spacegroup": 227
},
{
"id": "jvasp-23796",
"created_at": "2022-09-04T14:37:49.221131Z",
"updated_at": "2022-09-04T14:37:49.221146Z",
"structure_string": "Lu4 Si4 Ir4\n1.0\n4.181152 -0.000000 0.000000\n-0.000000 6.706701 0.000000\n0.000000 0.000000 7.409922\nLu Si Ir\n4 4 4\ndirect\n0.750000 0.504871 0.811954 Lu\n0.250000 0.995129 0.311954 Lu\n0.750000 0.004871 0.688046 Lu\n0.250000 0.495129 0.188046 Lu\n0.250000 0.705517 0.612083 Si\n0.250000 0.205517 0.887916 Si\n0.750000 0.294483 0.387916 Si\n0.750000 0.794483 0.112083 Si\n0.250000 0.838204 0.933312 Ir\n0.250000 0.338204 0.566687 Ir\n0.750000 0.661795 0.433312 Ir\n0.750000 0.161795 0.066687 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Si",
"Ir"
],
"chemical_system": "Ir-Lu-Si",
"density": 12.6352504807384,
"density_atomic": 0.05775142551537103,
"volume": 207.78707872424894,
"volume_molar": 10.427691968221906,
"formula_full": "Lu4 Si4 Ir4",
"formula_reduced": "LuSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3254084833333337,
"spacegroup": 62
},
{
"id": "jvasp-49690",
"created_at": "2022-09-04T14:37:18.002879Z",
"updated_at": "2022-09-04T14:37:18.002888Z",
"structure_string": "Mn4 Al4 O12\n1.0\n4.833193 0.000001 0.000442\n-0.000082 4.940373 0.000261\n-0.000590 -0.001212 8.269323\nMn Al O\n4 4 12\ndirect\n0.000013 0.500008 0.499974 Mn\n0.499989 -0.000003 0.499987 Mn\n0.500016 0.000002 0.999983 Mn\n0.999981 0.499991 0.999970 Mn\n0.016074 0.008310 0.249980 Al\n0.516058 0.491702 0.749998 Al\n0.483928 0.508311 0.249981 Al\n0.983939 0.991703 0.750012 Al\n0.352427 0.166499 0.249989 O\n0.852407 0.333507 0.750037 O\n0.338359 0.324697 0.916356 O\n0.838355 0.175322 0.083641 O\n0.161652 0.824699 0.583650 O\n0.838378 0.175259 0.416371 O\n0.661652 0.675326 0.083643 O\n0.161638 0.824700 0.916370 O\n0.647586 0.833507 0.750020 O\n0.338345 0.324701 0.583634 O\n0.661619 0.675257 0.416375 O\n0.147579 0.666499 0.250023 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Mn-O",
"density": 4.370326184771924,
"density_atomic": 0.10128990324349052,
"volume": 197.4530467456569,
"volume_molar": 5.94545020496603,
"formula_full": "Mn4 Al4 O12",
"formula_reduced": "MnAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.325220108275862,
"spacegroup": 62
}
]
}