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=-id&page=1577",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=1575",
"results": [
{
"id": "jvasp-53530",
"created_at": "2022-09-04T14:38:32.898420Z",
"updated_at": "2022-09-04T14:38:32.898446Z",
"structure_string": "Li6 I3 N1\n1.0\n5.803674 0.026752 3.328454\n1.960144 5.462324 3.328055\n0.000365 -0.000515 6.656508\nLi I N\n6 3 1\ndirect\n0.276148 0.723851 0.129722 Li\n0.213712 0.188903 0.811152 Li\n0.129700 0.870299 0.748376 Li\n0.894784 0.105215 0.276173 Li\n0.748443 0.251556 0.894817 Li\n0.811097 0.786286 0.213767 Li\n0.262198 0.237777 0.262179 I\n0.512209 0.487790 0.512175 I\n0.762221 0.737802 0.762154 I\n0.012279 0.987720 0.012291 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"I",
"N"
],
"chemical_system": "I-Li-N",
"density": 3.43947522256829,
"density_atomic": 0.047467031612506615,
"volume": 210.6725375547857,
"volume_molar": 12.686996754213055,
"formula_full": "Li6 I3 N1",
"formula_reduced": "Li6I3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.9016792075,
"spacegroup": 87
},
{
"id": "jvasp-5353",
"created_at": "2022-09-04T14:36:00.776854Z",
"updated_at": "2022-09-04T14:36:00.776889Z",
"structure_string": "Al2 P2 S8\n1.0\n5.695531 0.000000 0.000000\n0.000000 5.697591 0.000000\n0.000000 0.000000 9.367187\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.212321 0.275747 0.117277 S\n0.212321 0.724252 0.882723 S\n0.787679 0.275747 0.882723 S\n0.787679 0.724252 0.117277 S\n0.774380 0.791612 0.619776 S\n0.774380 0.208388 0.380224 S\n0.225620 0.791612 0.380224 S\n0.225620 0.208388 0.619776 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"S"
],
"chemical_system": "Al-P-S",
"density": 2.034509747665225,
"density_atomic": 0.03947722032332116,
"volume": 303.9727696559983,
"volume_molar": 15.254723383962322,
"formula_full": "Al2 P2 S8",
"formula_reduced": "AlPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.160674716666667,
"spacegroup": 16
},
{
"id": "jvasp-53524",
"created_at": "2022-09-04T14:38:33.610836Z",
"updated_at": "2022-09-04T14:38:33.610860Z",
"structure_string": "Cd2 In4 O8\n1.0\n5.718877 -0.017216 3.220858\n1.890061 5.397547 3.220858\n-0.000000 -0.000000 6.441715\nCd In O\n2 4 8\ndirect\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625001 Cd\n0.009399 0.009399 0.990602 In\n0.240601 0.240601 0.259399 In\n0.125000 0.625000 0.625001 In\n0.625000 0.125000 0.625001 In\n0.373243 0.373243 0.394448 O\n0.373243 0.373243 0.859067 O\n0.362777 0.853887 0.391669 O\n0.853887 0.362777 0.391669 O\n0.396113 0.887223 0.858333 O\n0.887223 0.396113 0.858333 O\n0.876757 0.876757 0.390934 O\n0.876757 0.876757 0.855553 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"In",
"O"
],
"chemical_system": "Cd-In-O",
"density": 6.774645402492447,
"density_atomic": 0.07033342583276977,
"volume": 199.0518709167884,
"volume_molar": 8.562274180016072,
"formula_full": "Cd2 In4 O8",
"formula_reduced": "CdIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8852162414285711,
"spacegroup": 74
},
{
"id": "jvasp-53523",
"created_at": "2022-09-04T14:38:31.384020Z",
"updated_at": "2022-09-04T14:38:31.384048Z",
"structure_string": "Mo8 Ru4 Se16\n1.0\n6.697261 -0.023335 -0.014546\n-0.828577 9.224842 0.001738\n-0.123769 -0.016795 9.789582\nMo Ru Se\n8 4 16\ndirect\n0.766530 0.519566 0.067065 Mo\n0.766526 0.021394 0.566548 Mo\n0.583155 0.108109 0.346498 Mo\n0.540898 0.325316 0.912931 Mo\n0.459101 0.674685 0.087069 Mo\n0.416844 0.891892 0.653502 Mo\n0.233473 0.978607 0.433451 Mo\n0.233470 0.480435 0.932934 Mo\n0.451331 0.180881 0.591260 Ru\n0.411087 0.391302 0.162541 Ru\n0.588913 0.608699 0.837458 Ru\n0.548669 0.819120 0.408740 Ru\n0.279711 0.748778 0.869917 Se\n0.209310 0.215237 0.008594 Se\n0.261832 0.252590 0.381411 Se\n0.218337 0.711743 0.495040 Se\n0.367327 0.431306 0.695142 Se\n0.373585 0.921545 0.199309 Se\n0.626414 0.078456 0.800690 Se\n0.869146 0.447832 0.818901 Se\n0.790689 0.784763 0.991404 Se\n0.781662 0.288258 0.504959 Se\n0.738168 0.747411 0.618588 Se\n0.720288 0.251222 0.130082 Se\n0.130854 0.552168 0.181098 Se\n0.868480 0.946447 0.318696 Se\n0.632672 0.568694 0.304858 Se\n0.131520 0.053554 0.681304 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mo",
"Ru",
"Se"
],
"chemical_system": "Mo-Ru-Se",
"density": 6.688121548199751,
"density_atomic": 0.04631115257809226,
"volume": 604.6059845473496,
"volume_molar": 13.003651226009017,
"formula_full": "Mo8 Ru4 Se16",
"formula_reduced": "Mo2RuSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.511816538095238,
"spacegroup": 2
},
{
"id": "jvasp-53522",
"created_at": "2022-09-04T14:38:10.328243Z",
"updated_at": "2022-09-04T14:38:10.328271Z",
"structure_string": "Li1 Ti1 Cl3\n1.0\n5.062508 0.000000 0.000000\n0.000000 5.062508 0.000000\n-0.000000 0.000000 4.886264\nLi Ti Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Cl"
],
"chemical_system": "Cl-Li-Ti",
"density": 2.137060644744323,
"density_atomic": 0.03992653589057981,
"volume": 125.22999775644674,
"volume_molar": 15.08305347727613,
"formula_full": "Li1 Ti1 Cl3",
"formula_reduced": "LiTiCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7362421071666668,
"spacegroup": 123
},
{
"id": "jvasp-53518",
"created_at": "2022-09-04T14:38:11.705645Z",
"updated_at": "2022-09-04T14:38:11.705669Z",
"structure_string": "Sr2 Yb4 S8\n1.0\n6.931538 0.143396 -2.538481\n-3.341585 6.074586 -2.538481\n-0.082789 -0.143396 7.381276\nYb Sr S\n4 2 8\ndirect\n0.125547 0.750000 0.875547 Yb\n0.250001 0.625547 0.375547 Yb\n0.374454 0.250000 0.624454 Yb\n0.750001 0.874454 0.124454 Yb\n0.625001 0.375000 0.250001 Sr\n0.875000 0.125000 0.750001 Sr\n0.032065 0.854533 0.511570 S\n0.020495 0.342963 0.488431 S\n0.145467 0.157037 0.177532 S\n0.354533 0.532065 0.011569 S\n0.657038 0.645468 0.677533 S\n0.467936 0.979506 0.822469 S\n0.479507 0.967936 0.322469 S\n0.842963 0.520495 0.988432 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Sr",
"S"
],
"chemical_system": "S-Sr-Yb",
"density": 6.03304276838542,
"density_atomic": 0.04525639359102215,
"volume": 309.3485558420034,
"volume_molar": 13.306718194166177,
"formula_full": "Sr2 Yb4 S8",
"formula_reduced": "Sr(YbS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6282953871428572,
"spacegroup": 122
},
{
"id": "jvasp-53515",
"created_at": "2022-09-04T14:36:12.175427Z",
"updated_at": "2022-09-04T14:36:12.175444Z",
"structure_string": "Mn4 Sb2 Te2\n1.0\n3.816151 0.009861 0.002014\n-0.017544 6.582199 0.003453\n-0.003794 -0.003874 7.232876\nMn Sb Te\n4 2 2\ndirect\n0.498672 0.166776 0.756061 Mn\n-0.001467 0.666781 0.749343 Mn\n0.998475 0.335536 0.256062 Mn\n0.498575 0.835523 0.249354 Mn\n0.998579 0.001183 0.002717 Sb\n0.498553 0.501161 0.502718 Sb\n-0.001372 0.001173 0.502729 Te\n0.498424 0.501178 0.002703 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"Te"
],
"chemical_system": "Mn-Sb-Te",
"density": 6.56671611629855,
"density_atomic": 0.044033091215280235,
"volume": 181.681544020781,
"volume_molar": 13.676397894840992,
"formula_full": "Mn4 Sb2 Te2",
"formula_reduced": "Mn2SbTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.819392087356322,
"spacegroup": 58
},
{
"id": "jvasp-53509",
"created_at": "2022-09-04T14:38:08.963401Z",
"updated_at": "2022-09-04T14:38:08.963415Z",
"structure_string": "Yb2 Ho4 S8\n1.0\n6.762947 -0.000044 -2.400793\n-3.376937 5.864644 -2.387855\n-0.009174 -0.000044 7.176432\nYb Ho S\n2 4 8\ndirect\n0.124999 0.750001 0.875000 Yb\n0.375001 0.250001 0.624999 Yb\n0.250003 0.628132 0.378129 Ho\n0.749996 0.871870 0.121872 Ho\n0.621871 0.371870 0.249996 Ho\n0.878130 0.128133 0.750004 Ho\n0.995040 0.855584 0.494752 S\n0.139459 0.144418 0.139168 S\n0.505248 0.000281 0.360826 S\n0.360545 0.499716 0.004970 S\n0.639168 0.644418 0.639460 S\n0.504970 -0.000283 0.860545 S\n0.860826 0.500281 0.005248 S\n0.994751 0.355584 0.495040 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Ho",
"S"
],
"chemical_system": "Ho-S-Yb",
"density": 7.367721082694978,
"density_atomic": 0.049208736176925304,
"volume": 284.5023279944508,
"volume_molar": 12.237950469501937,
"formula_full": "Yb2 Ho4 S8",
"formula_reduced": "Yb(HoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2352502619047616,
"spacegroup": 122
},
{
"id": "jvasp-53503",
"created_at": "2022-09-04T14:38:08.590890Z",
"updated_at": "2022-09-04T14:38:08.590919Z",
"structure_string": "Al4 Pb2 Se8\n1.0\n6.284386 -0.110308 0.000000\n-3.068368 5.485508 0.000000\n0.000000 0.000000 10.937202\nAl Pb Se\n4 2 8\ndirect\n0.238163 0.759139 0.000000 Al\n0.240862 0.761837 0.500000 Al\n0.759139 0.238163 0.500000 Al\n0.761837 0.240861 0.000000 Al\n0.500000 0.500000 0.250000 Pb\n0.500000 0.500000 0.750000 Pb\n-0.000000 0.500000 0.169121 Se\n0.183974 0.346952 0.500000 Se\n0.500000 -0.000000 0.330879 Se\n0.346952 0.183974 0.000000 Se\n0.653049 0.816026 0.000000 Se\n0.500000 -0.000000 0.669121 Se\n0.816026 0.653048 0.500000 Se\n-0.000000 0.500000 0.830879 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Pb",
"Se"
],
"chemical_system": "Al-Pb-Se",
"density": 5.132824000317443,
"density_atomic": 0.03749964757697479,
"volume": 373.3368419333135,
"volume_molar": 16.05919295011632,
"formula_full": "Al4 Pb2 Se8",
"formula_reduced": "Al2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3764599838095235,
"spacegroup": 66
},
{
"id": "jvasp-535",
"created_at": "2022-09-04T14:38:05.697919Z",
"updated_at": "2022-09-04T14:38:05.697943Z",
"structure_string": "Ta2 Se4\n1.0\n1.737113 -3.008768 0.000000\n1.737113 3.008768 0.000000\n0.000000 0.000000 12.870908\nTa Se\n2 4\ndirect\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.333332 0.666666 0.380315 Se\n0.666666 0.333332 0.880315 Se\n0.666666 0.333332 0.619686 Se\n0.333332 0.666666 0.119685 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Se"
],
"chemical_system": "Se-Ta",
"density": 8.36476116389632,
"density_atomic": 0.044595937363706324,
"volume": 134.54140342575246,
"volume_molar": 13.503787824630459,
"formula_full": "Ta2 Se4",
"formula_reduced": "TaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5359619777777773,
"spacegroup": 194
},
{
"id": "jvasp-53498",
"created_at": "2022-09-04T14:38:12.276648Z",
"updated_at": "2022-09-04T14:38:12.276671Z",
"structure_string": "Dy1 Cu1 Se2\n1.0\n2.044657 -3.541449 0.000000\n2.044657 3.541449 -0.000000\n0.000000 0.000000 6.420586\nDy Cu Se\n1 1 2\ndirect\n0.000000 0.000000 0.511099 Dy\n0.666668 0.333334 0.127053 Cu\n0.333334 0.666668 0.240753 Se\n0.666668 0.333334 0.747195 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Se"
],
"chemical_system": "Cu-Dy-Se",
"density": 6.857025242143242,
"density_atomic": 0.04301836226887797,
"volume": 92.98354909465804,
"volume_molar": 13.999000525310032,
"formula_full": "Dy1 Cu1 Se2",
"formula_reduced": "DyCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6268584208333332,
"spacegroup": 156
},
{
"id": "jvasp-53487",
"created_at": "2022-09-04T14:38:11.960839Z",
"updated_at": "2022-09-04T14:38:11.960853Z",
"structure_string": "Yb2 Y4 S8\n1.0\n6.793250 0.000000 -2.411191\n-3.392188 5.890815 -2.398640\n-0.008875 0.000000 7.208468\nYb Y S\n2 4 8\ndirect\n0.124999 0.749999 0.875000 Yb\n0.374999 0.250000 0.625000 Yb\n0.249999 0.628294 0.378294 Y\n0.621705 0.371705 0.250000 Y\n0.749999 0.871705 0.121705 Y\n0.878294 0.128295 0.750000 Y\n0.504072 0.999462 0.860183 S\n0.139816 0.143891 0.139280 S\n0.360183 0.499463 0.004073 S\n0.639279 0.643890 0.639816 S\n0.504610 0.000537 0.360720 S\n0.995926 0.856108 0.495389 S\n0.860720 0.500537 0.004610 S\n0.995389 0.356109 0.495927 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Y",
"S"
],
"chemical_system": "S-Y-Yb",
"density": 5.518356335187951,
"density_atomic": 0.048553652599334925,
"volume": 288.34081990757926,
"volume_molar": 12.40306431669466,
"formula_full": "Yb2 Y4 S8",
"formula_reduced": "Yb(YS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7230759428571427,
"spacegroup": 122
}
]
}