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=created_at&page=4393",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4391",
"results": [
{
"id": "jvasp-114074",
"created_at": "2022-09-04T14:38:48.137984Z",
"updated_at": "2022-09-04T14:38:48.138009Z",
"structure_string": "Ba1 Sn1 S1\n1.0\n3.930282 0.000000 -0.000000\n0.000000 3.930282 0.000000\n0.000000 0.000000 8.558182\nBa Sn S\n1 1 1\ndirect\n0.000000 0.000000 0.000975 Ba\n0.000000 0.000000 0.601212 Sn\n0.000000 0.000000 0.329567 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"S"
],
"chemical_system": "Ba-S-Sn",
"density": 3.6188153836062686,
"density_atomic": 0.02269302083851714,
"volume": 132.19923523394752,
"volume_molar": 26.53741343143945,
"formula_full": "Ba1 Sn1 S1",
"formula_reduced": "BaSnS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5636892233333333,
"spacegroup": 99
},
{
"id": "jvasp-118101",
"created_at": "2022-09-04T14:38:48.143652Z",
"updated_at": "2022-09-04T14:38:48.143667Z",
"structure_string": "Cl1 O1\n1.0\n3.659483 0.000000 -0.000000\n-1.829742 3.169205 0.000000\n-0.000000 -0.000000 3.424421\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666668 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.1512828578415095,
"density_atomic": 0.05035849907477094,
"volume": 39.715242446572006,
"volume_molar": 11.95853901653917,
"formula_full": "Cl1 O1",
"formula_reduced": "ClO",
"formula_anonymous": "AB",
"energy_above_hull": 1.39627878375,
"spacegroup": 187
},
{
"id": "jvasp-118851",
"created_at": "2022-09-04T14:38:48.145655Z",
"updated_at": "2022-09-04T14:38:48.145685Z",
"structure_string": "Na1 Ca1 As1\n1.0\n-0.000000 3.455827 3.455827\n3.455827 -0.000000 3.455827\n3.455827 3.455827 -0.000000\nNa Ca As\n1 1 1\ndirect\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Ca",
"As"
],
"chemical_system": "As-Ca-Na",
"density": 2.7759315388403216,
"density_atomic": 0.036344213818839066,
"volume": 82.5440884470294,
"volume_molar": 16.569737317796694,
"formula_full": "Na1 Ca1 As1",
"formula_reduced": "NaCaAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0255037233333334,
"spacegroup": 216
},
{
"id": "jvasp-107724",
"created_at": "2022-09-04T14:38:48.149540Z",
"updated_at": "2022-09-04T14:38:48.149568Z",
"structure_string": "Zn4 Fe1 S5\n1.0\n3.800460 0.002022 15.360699\n1.873715 3.306463 15.360699\n0.003468 0.002022 15.823860\nZn Fe S\n4 1 5\ndirect\n0.000341 0.000341 0.000341 Zn\n0.600028 0.600027 0.600029 Zn\n0.199726 0.199726 0.199726 Zn\n0.799407 0.799405 0.799409 Zn\n0.400393 0.400393 0.400394 Fe\n0.950268 0.950266 0.950270 S\n0.549985 0.549984 0.549986 S\n0.149694 0.149694 0.149694 S\n0.749254 0.749252 0.749255 S\n0.350905 0.350904 0.350906 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.9960878151921464,
"density_atomic": 0.05036563651508002,
"volume": 198.5480715012088,
"volume_molar": 11.956844342068239,
"formula_full": "Zn4 Fe1 S5",
"formula_reduced": "Zn4FeS5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.7153807099999999,
"spacegroup": 160
},
{
"id": "jvasp-117127",
"created_at": "2022-09-04T14:38:48.150033Z",
"updated_at": "2022-09-04T14:38:48.150059Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.688860 0.000344 3.513959\n6.087900 2.770978 3.513959\n-0.012024 -0.002608 12.443362\nLi Mn Co O\n8 2 4 14\ndirect\n0.000001 -0.000000 0.500000 Li\n0.296058 0.296058 0.058961 Li\n0.573907 0.573904 0.646207 Li\n0.426095 0.426094 0.353793 Li\n0.703944 0.703941 0.941039 Li\n0.871898 0.871896 0.186324 Li\n0.128104 0.128102 0.813676 Li\n0.500000 0.500000 0.000000 Li\n0.356440 0.356438 0.715490 Mn\n0.643562 0.643560 0.284510 Mn\n0.784216 0.784213 0.572530 Co\n0.068331 0.068331 0.142717 Co\n0.931671 0.931668 0.857283 Co\n0.215786 0.215785 0.427470 Co\n0.893558 0.893557 0.021457 O\n0.955763 0.955760 0.681959 O\n0.241571 0.241570 0.258339 O\n0.526226 0.526224 0.822046 O\n0.382208 0.382207 0.546491 O\n0.667533 0.667532 0.121797 O\n0.809292 0.809290 0.406841 O\n0.106444 0.106442 0.978543 O\n0.044239 0.044239 0.318041 O\n0.332469 0.332466 0.878203 O\n0.617794 0.617792 0.453509 O\n0.473776 0.473775 0.177954 O\n0.758431 0.758429 0.741661 O\n0.190710 0.190709 0.593159 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.498976830032166,
"density_atomic": 0.12135380894782578,
"volume": 230.73029386360813,
"volume_molar": 4.962465383010044,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.557236681527094,
"spacegroup": 12
},
{
"id": "jvasp-117064",
"created_at": "2022-09-04T14:38:48.151017Z",
"updated_at": "2022-09-04T14:38:48.151033Z",
"structure_string": "Ba2 La2 Mn4 O12\n1.0\n5.541694 -0.001262 -0.000392\n0.001158 5.541694 -0.000378\n0.000666 0.000642 7.828789\nBa La Mn O\n2 2 4 12\ndirect\n0.500000 -0.000000 0.750000 Ba\n0.999999 0.500000 0.250001 Ba\n0.500000 0.999999 0.249998 La\n0.000001 0.499999 0.750002 La\n0.499999 0.500000 0.500000 Mn\n0.500001 0.499999 -0.000000 Mn\n-0.000000 0.000000 1.000000 Mn\n0.000001 -0.000001 0.500000 Mn\n0.250002 0.749997 0.500000 O\n0.750001 0.249998 0.000000 O\n0.000001 -0.000000 0.749998 O\n0.500000 0.499999 0.249996 O\n0.000000 -0.000000 0.250002 O\n0.250003 0.250001 0.500000 O\n0.749997 0.749998 0.500000 O\n0.249998 0.249998 0.000000 O\n0.249998 0.750001 -0.000000 O\n0.750002 0.750002 -0.000000 O\n0.500000 0.499999 0.750004 O\n0.749998 0.250002 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-La-Mn-O",
"density": 6.659490384245182,
"density_atomic": 0.08318601098327258,
"volume": 240.42503978249047,
"volume_molar": 7.239367158993788,
"formula_full": "Ba2 La2 Mn4 O12",
"formula_reduced": "BaLaMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.677984645275862,
"spacegroup": 225
},
{
"id": "jvasp-116946",
"created_at": "2022-09-04T14:38:48.153389Z",
"updated_at": "2022-09-04T14:38:48.153415Z",
"structure_string": "Ni8 Cl4 O12\n1.0\n5.683988 -0.000000 0.000000\n0.000000 6.157665 0.000000\n-0.000000 -0.000000 8.179305\nNi Cl O\n8 4 12\ndirect\n0.500000 0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.307112 0.750001 0.755729 Ni\n0.807113 0.750001 0.744272 Ni\n0.692888 0.250000 0.244272 Ni\n0.192888 0.250000 0.255728 Ni\n0.670541 0.250000 0.967443 Cl\n0.170541 0.250000 0.532558 Cl\n0.329459 0.750001 0.032558 Cl\n0.829459 0.750001 0.467442 Cl\n0.054653 0.548578 0.776117 O\n0.312797 0.750001 0.522748 O\n0.812797 0.750001 0.977253 O\n0.687203 0.250000 0.477253 O\n0.187203 0.250000 0.022748 O\n0.054653 0.951423 0.776117 O\n0.554653 0.548578 0.723884 O\n0.945347 0.451423 0.223884 O\n0.445347 0.048578 0.276116 O\n0.945347 0.048578 0.223884 O\n0.445347 0.451423 0.276116 O\n0.554653 0.951423 0.723884 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ni",
"Cl",
"O"
],
"chemical_system": "Cl-Ni-O",
"density": 4.659822385272272,
"density_atomic": 0.08383505013116913,
"volume": 286.27644359309585,
"volume_molar": 7.183320998290931,
"formula_full": "Ni8 Cl4 O12",
"formula_reduced": "Ni2ClO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.61384656125,
"spacegroup": 62
},
{
"id": "jvasp-114075",
"created_at": "2022-09-04T14:38:48.153561Z",
"updated_at": "2022-09-04T14:38:48.153587Z",
"structure_string": "Ba1 Sn1 S1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Sn S\n1 1 1\ndirect\n0.394924 0.000390 0.000000 Ba\n-0.037178 -0.087863 0.000000 Sn\n0.061419 0.355731 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"S"
],
"chemical_system": "Ba-S-Sn",
"density": 2.4910755362826955,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Ba1 Sn1 S1",
"formula_reduced": "BaSnS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7238292233333333,
"spacegroup": 6
},
{
"id": "jvasp-113533",
"created_at": "2022-09-04T14:38:48.158276Z",
"updated_at": "2022-09-04T14:38:48.158296Z",
"structure_string": "C1 S1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nC S O\n1 1 1\ndirect\n0.288923 0.000996 0.000000 C\n-0.106868 -0.080153 0.000000 S\n0.045843 0.267074 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"S",
"O"
],
"chemical_system": "C-O-S",
"density": 0.5194396843817001,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "C1 S1 O1",
"formula_reduced": "CSO",
"formula_anonymous": "ABC",
"energy_above_hull": 4.184667833333333,
"spacegroup": 6
},
{
"id": "jvasp-113662",
"created_at": "2022-09-04T14:38:48.159002Z",
"updated_at": "2022-09-04T14:38:48.159026Z",
"structure_string": "Li1 Br2\n1.0\n4.219697 0.713139 -0.046354\n-1.140942 -5.632288 -0.052105\n0.322959 3.260294 -3.415423\nLi Br\n1 2\ndirect\n-0.012117 0.031606 0.027075 Li\n0.132932 0.885436 0.381237 Br\n0.618170 0.400422 0.396326 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 3.4967094471903812,
"density_atomic": 0.03788510245053227,
"volume": 79.18679918886828,
"volume_molar": 15.895801701640618,
"formula_full": "Li1 Br2",
"formula_reduced": "LiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2341847016666666,
"spacegroup": 5
},
{
"id": "jvasp-120656",
"created_at": "2022-09-04T14:38:48.162052Z",
"updated_at": "2022-09-04T14:38:48.162081Z",
"structure_string": "Ca1 Nd3 Mn4 O12\n1.0\n7.697486 -0.000000 0.000000\n0.000000 5.426657 0.027736\n-0.000000 -0.035903 5.497381\nCa Nd Mn O\n1 3 4 12\ndirect\n0.500000 0.490026 0.542844 Ca\n0.500000 0.009615 0.043862 Nd\n-0.000000 0.509498 0.457040 Nd\n-0.000000 0.991950 0.956470 Nd\n0.253551 0.000708 0.500754 Mn\n0.746795 0.499857 0.998569 Mn\n0.746450 0.000708 0.500754 Mn\n0.253206 0.499857 0.998569 Mn\n0.285539 0.208815 0.791089 O\n0.708273 0.286879 0.287222 O\n0.714461 0.208815 0.791089 O\n0.291728 0.286879 0.287222 O\n0.210034 0.786893 0.212789 O\n0.500000 0.920140 0.484974 O\n-0.000000 0.075428 0.510334 O\n-0.000000 0.427615 0.015252 O\n0.205431 0.716927 0.715609 O\n0.500000 0.575584 0.977165 O\n0.794569 0.716927 0.715609 O\n0.789966 0.786893 0.212789 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-Nd-O",
"density": 6.396160749530643,
"density_atomic": 0.08709202371263111,
"volume": 229.64215490033865,
"volume_molar": 6.914686906197815,
"formula_full": "Ca1 Nd3 Mn4 O12",
"formula_reduced": "CaNd3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.044712794275862,
"spacegroup": 6
},
{
"id": "jvasp-118969",
"created_at": "2022-09-04T14:38:48.162258Z",
"updated_at": "2022-09-04T14:38:48.162297Z",
"structure_string": "Lu1 Al8 Cu4\n1.0\n6.639245 0.018483 -0.967702\n-4.963721 4.409240 -0.967702\n-0.006994 -0.018483 6.709395\nLu Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.346814 0.346813 Al\n0.000001 0.653187 0.653187 Al\n0.653188 -0.000000 0.653187 Al\n0.346814 -0.000000 0.346813 Al\n0.500001 0.282516 0.782516 Al\n0.500000 0.717484 0.217484 Al\n0.717485 0.500000 0.217484 Al\n0.282517 0.500000 0.782516 Al\n0.000001 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Lu",
"density": 5.442639482298131,
"density_atomic": 0.06606050360087329,
"volume": 196.7892960450902,
"volume_molar": 9.116098775729572,
"formula_full": "Lu1 Al8 Cu4",
"formula_reduced": "Lu(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.2211399961538465,
"spacegroup": 139
}
]
}