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=nsites&page=3399",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3397",
"results": [
{
"id": "jvasp-28917",
"created_at": "2022-09-04T14:37:36.679793Z",
"updated_at": "2022-09-04T14:37:36.679819Z",
"structure_string": "Te2 Mo1 W3 Se6\n1.0\n3.384135 0.000001 -0.000000\n-1.692066 2.930735 -0.000001\n0.000002 -0.000016 38.419895\nTe Mo W Se\n2 1 3 6\ndirect\n0.666644 0.333290 0.420459 Te\n0.666643 0.333288 0.518853 Te\n0.666687 0.333378 0.281776 Mo\n0.333310 0.666621 0.093928 W\n0.333308 0.666618 0.469651 W\n0.666686 0.333377 0.657548 W\n0.333351 0.666705 0.324825 Se\n0.333355 0.666714 0.700649 Se\n0.666643 0.333287 0.050822 Se\n0.666643 0.333287 0.137143 Se\n0.333354 0.666712 0.238754 Se\n0.333350 0.666705 0.614338 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.998181372364746,
"density_atomic": 0.03149203807634887,
"volume": 381.04869462266504,
"volume_molar": 19.122740628599534,
"formula_full": "Te2 Mo1 W3 Se6",
"formula_reduced": "Te2Mo(WSe2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.0274543027777785,
"spacegroup": 156
},
{
"id": "jvasp-37017",
"created_at": "2022-09-04T14:37:55.973418Z",
"updated_at": "2022-09-04T14:37:55.973442Z",
"structure_string": "K6 O6\n1.0\n3.514558 -6.087393 -0.000000\n3.514558 6.087393 0.000000\n-0.000000 -0.000000 5.059729\nK O\n6 6\ndirect\n0.292151 0.000000 0.500000 K\n0.707849 0.707849 0.500000 K\n0.000000 0.292151 0.500000 K\n0.629625 0.000000 0.000000 K\n0.370375 0.370375 0.000000 K\n0.000000 0.629625 0.000000 K\n0.666667 0.333333 0.653008 O\n0.666667 0.333333 0.346992 O\n0.333333 0.666667 0.346992 O\n0.333333 0.666667 0.653008 O\n0.000000 0.000000 0.150910 O\n0.000000 0.000000 0.849091 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.5355636104646155,
"density_atomic": 0.05542707217698214,
"volume": 216.5007013483094,
"volume_molar": 10.864980817985343,
"formula_full": "K6 O6",
"formula_reduced": "KO",
"formula_anonymous": "AB",
"energy_above_hull": 0.060218375,
"spacegroup": 189
},
{
"id": "jvasp-26635",
"created_at": "2022-09-04T14:37:41.892089Z",
"updated_at": "2022-09-04T14:37:41.892105Z",
"structure_string": "Rb2 Sb2 Br2 F6\n1.0\n4.415251 -0.009793 -0.056299\n-1.799316 7.415549 -0.012300\n-1.485996 -3.543253 8.092635\nRb Sb Br F\n2 2 2 6\ndirect\n0.983132 0.305839 0.648997 Rb\n0.016866 0.694162 0.351003 Rb\n0.305997 0.159447 0.207918 Sb\n0.694002 0.840554 0.792083 Sb\n0.429995 0.761360 0.064769 Br\n0.570003 0.238641 0.935232 Br\n0.597600 0.549680 0.677720 F\n0.695665 0.885740 0.583031 F\n0.304333 0.114261 0.416970 F\n0.402398 0.450321 0.322280 F\n0.211087 0.762997 0.698131 F\n0.788912 0.237004 0.301869 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Br",
"F"
],
"chemical_system": "Br-F-Rb-Sb",
"density": 4.334800700713292,
"density_atomic": 0.04551478832005636,
"volume": 263.65057254835415,
"volume_molar": 13.23117382783984,
"formula_full": "Rb2 Sb2 Br2 F6",
"formula_reduced": "RbSbBrF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-28681",
"created_at": "2022-09-04T14:37:41.876970Z",
"updated_at": "2022-09-04T14:37:41.876988Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.347755 0.000000 -0.000000\n-1.673877 2.899242 -0.000029\n-0.000000 -0.000342 36.019838\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333349 0.666703 0.332343 Te\n0.333375 0.666753 0.226756 Te\n0.333362 0.666727 0.093342 Mo\n0.666695 0.333393 0.279582 Mo\n0.333320 0.666641 0.473474 W\n0.666622 0.333248 0.656545 W\n0.333296 0.666596 0.703003 Se\n0.666646 0.333293 0.426947 Se\n0.666665 0.333332 0.519977 Se\n0.333274 0.666551 0.610039 Se\n0.666678 0.333357 0.051246 S\n0.666702 0.333405 0.135495 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.674648643388616,
"density_atomic": 0.0343242736743923,
"volume": 349.6068151021831,
"volume_molar": 17.544845426672005,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.529215066666667,
"spacegroup": 156
},
{
"id": "jvasp-57361",
"created_at": "2022-09-04T14:37:44.262041Z",
"updated_at": "2022-09-04T14:37:44.262061Z",
"structure_string": "Mn2 Se2 O8\n1.0\n5.034415 0.024102 -0.000000\n-1.903836 4.660615 0.000000\n-0.000000 0.000000 6.728304\nMn Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.644755 0.355244 0.250000 Se\n0.355244 0.644754 0.750000 Se\n0.752965 0.247035 0.457201 O\n0.247035 0.752964 0.542798 O\n0.227488 0.278987 0.750000 O\n0.772511 0.721011 0.250000 O\n0.752965 0.247035 0.042798 O\n0.247035 0.752964 0.957201 O\n0.721012 0.772510 0.750000 O\n0.278988 0.227488 0.250000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se",
"density": 4.154980463062189,
"density_atomic": 0.07586385403961014,
"volume": 158.17809616862522,
"volume_molar": 7.938089668968981,
"formula_full": "Mn2 Se2 O8",
"formula_reduced": "MnSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.66338243467433,
"spacegroup": 63
},
{
"id": "jvasp-11708",
"created_at": "2022-09-04T14:37:36.723693Z",
"updated_at": "2022-09-04T14:37:36.723731Z",
"structure_string": "Cr2 P2 O8\n1.0\n4.691206 -0.000941 -0.000000\n-1.805591 4.329811 0.000000\n-0.000000 0.000000 6.162496\nCr P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.649962 0.350039 0.250000 P\n0.350039 0.649961 0.750000 P\n0.224751 0.282695 0.750000 O\n0.775250 0.717305 0.250000 O\n0.282695 0.224751 0.250000 O\n0.717306 0.775249 0.750000 O\n0.246350 0.753650 0.957898 O\n0.753651 0.246350 0.457897 O\n0.753651 0.246350 0.042103 O\n0.246350 0.753650 0.542103 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.899658016927045,
"density_atomic": 0.0958754646055443,
"volume": 125.16236608991684,
"volume_molar": 6.281211553734417,
"formula_full": "Cr2 P2 O8",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.850769483333334,
"spacegroup": 63
},
{
"id": "jvasp-23794",
"created_at": "2022-09-04T14:37:56.321945Z",
"updated_at": "2022-09-04T14:37:56.321968Z",
"structure_string": "Hf4 Fe4 P4\n1.0\n3.738348 -0.000000 0.000000\n-0.000000 6.249881 0.000000\n0.000000 0.000000 7.035615\nHf Fe P\n4 4 4\ndirect\n0.250000 0.516778 0.685231 Hf\n0.750000 0.483221 0.314768 Hf\n0.250000 0.016779 0.814768 Hf\n0.750000 0.983221 0.185232 Hf\n0.750000 0.851805 0.562740 Fe\n0.250000 0.148195 0.437260 Fe\n0.750000 0.351805 0.937259 Fe\n0.250000 0.648195 0.062740 Fe\n0.250000 0.280020 0.114321 P\n0.750000 0.719980 0.885678 P\n0.250000 0.780020 0.385679 P\n0.750000 0.219980 0.614321 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"P"
],
"chemical_system": "Fe-Hf-P",
"density": 10.720304971583378,
"density_atomic": 0.07300081429422957,
"volume": 164.38172801243059,
"volume_molar": 8.2494158705241,
"formula_full": "Hf4 Fe4 P4",
"formula_reduced": "HfFeP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1741446666666664,
"spacegroup": 62
},
{
"id": "jvasp-35227",
"created_at": "2022-09-04T14:37:44.440061Z",
"updated_at": "2022-09-04T14:37:44.440076Z",
"structure_string": "Ba2 Y1 Cu3 O6\n1.0\n3.905598 0.000000 0.000000\n0.000000 3.878321 0.000000\n0.000000 0.000000 11.740711\nBa Y Cu O\n2 1 3 6\ndirect\n0.500000 0.500000 0.822730 Ba\n0.500000 0.500000 0.169811 Ba\n0.500000 0.500000 0.512064 Y\n0.000000 0.000000 0.647604 Cu\n0.000000 0.000000 0.347404 Cu\n0.000000 0.000000 0.001543 Cu\n0.000000 0.500000 0.003464 O\n0.500000 0.000000 0.628658 O\n0.500000 0.000000 0.382857 O\n0.000000 0.500000 0.596776 O\n0.000000 0.000000 0.837646 O\n0.000000 0.000000 0.171095 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 6.071088063399298,
"density_atomic": 0.0674769675003082,
"volume": 177.83846021155574,
"volume_molar": 8.924735332797066,
"formula_full": "Ba2 Y1 Cu3 O6",
"formula_reduced": "Ba2Y(CuO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.4202408116666665,
"spacegroup": 25
},
{
"id": "jvasp-58360",
"created_at": "2022-09-04T14:37:44.681628Z",
"updated_at": "2022-09-04T14:37:44.681657Z",
"structure_string": "Hf3 Ni9\n1.0\n4.903843 0.009564 5.161054\n2.067228 4.446835 5.161054\n0.014961 0.009564 7.119265\nHf Ni\n3 9\ndirect\n0.781284 0.781282 0.781284 Hf\n0.218716 0.218715 0.218716 Hf\n0.000000 0.000000 0.000000 Hf\n0.713279 0.243332 0.713279 Ni\n0.243334 0.713278 0.713279 Ni\n0.713280 0.713278 0.243333 Ni\n0.500000 0.499999 0.000000 Ni\n0.000000 0.499999 0.500000 Ni\n0.500000 -0.000001 0.500000 Ni\n0.286721 0.286720 0.756667 Ni\n0.756667 0.286720 0.286721 Ni\n0.286721 0.756665 0.286721 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 11.423449619518436,
"density_atomic": 0.0776079000404231,
"volume": 154.6234338739953,
"volume_molar": 7.759700696531265,
"formula_full": "Hf3 Ni9",
"formula_reduced": "HfNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0024550500000005,
"spacegroup": 166
},
{
"id": "jvasp-21460",
"created_at": "2022-09-04T14:37:44.698540Z",
"updated_at": "2022-09-04T14:37:44.698551Z",
"structure_string": "Tb4 Si4 Pt4\n1.0\n4.308347 -0.000000 0.000000\n-0.000000 7.053935 0.000000\n0.000000 0.000000 7.494344\nTb Si Pt\n4 4 4\ndirect\n0.750000 0.503883 0.799937 Tb\n0.250000 0.996118 0.299937 Tb\n0.750000 0.003883 0.700062 Tb\n0.250000 0.496117 0.200062 Tb\n0.250000 0.813590 0.912492 Si\n0.250000 0.313590 0.587507 Si\n0.750000 0.186410 0.087507 Si\n0.750000 0.686411 0.412492 Si\n0.250000 0.701218 0.585430 Pt\n0.250000 0.201217 0.914569 Pt\n0.750000 0.798783 0.085430 Pt\n0.750000 0.298783 0.414570 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Tb",
"density": 11.143061332585223,
"density_atomic": 0.05268724548263198,
"volume": 227.75910735276008,
"volume_molar": 11.429978365418933,
"formula_full": "Tb4 Si4 Pt4",
"formula_reduced": "TbSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7366527999999997,
"spacegroup": 62
},
{
"id": "jvasp-23513",
"created_at": "2022-09-04T14:37:44.475314Z",
"updated_at": "2022-09-04T14:37:44.475335Z",
"structure_string": "Mn4 Si4 Ni4\n1.0\n3.664649 0.000000 0.000000\n-0.000000 5.372011 0.000000\n0.000000 0.000000 6.909238\nMn Si Ni\n4 4 4\ndirect\n0.750000 0.468230 0.308404 Mn\n0.250000 0.031770 0.808405 Mn\n0.750000 0.968230 0.191596 Mn\n0.250000 0.531770 0.691596 Mn\n0.250000 0.236332 0.119509 Si\n0.250000 0.736332 0.380491 Si\n0.750000 0.763668 0.880491 Si\n0.750000 0.263668 0.619509 Si\n0.250000 0.654228 0.059843 Ni\n0.250000 0.154228 0.440158 Ni\n0.750000 0.845772 0.559843 Ni\n0.750000 0.345772 0.940158 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ni"
],
"chemical_system": "Mn-Ni-Si",
"density": 6.920403864623416,
"density_atomic": 0.08822299874558913,
"volume": 136.01895390797927,
"volume_molar": 6.82604405384836,
"formula_full": "Mn4 Si4 Ni4",
"formula_reduced": "MnSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.398899413793104,
"spacegroup": 62
},
{
"id": "jvasp-54438",
"created_at": "2022-09-04T14:37:44.484658Z",
"updated_at": "2022-09-04T14:37:44.484675Z",
"structure_string": "K2 Ag6 Te4\n1.0\n4.075223 -0.000000 -0.000000\n-2.037612 8.717954 -3.831910\n-0.000000 0.026819 10.116082\nK Ag Te\n2 6 4\ndirect\n0.390205 0.780411 0.951232 K\n0.609794 0.219589 0.048767 K\n0.687140 0.374280 0.438692 Ag\n0.267080 0.534159 0.103498 Ag\n0.580496 0.160993 0.596057 Ag\n0.312860 0.625719 0.561308 Ag\n0.419503 0.839007 0.403942 Ag\n0.732920 0.465841 0.896502 Ag\n0.528005 0.056010 0.283632 Te\n0.796751 0.593503 0.314720 Te\n0.471995 0.943989 0.716368 Te\n0.203248 0.406497 0.685280 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ag",
"Te"
],
"chemical_system": "Ag-K-Te",
"density": 5.703156023104368,
"density_atomic": 0.033350102444165856,
"volume": 359.8189846669942,
"volume_molar": 18.057338114874337,
"formula_full": "K2 Ag6 Te4",
"formula_reduced": "KAg3Te2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 12
}
]
}