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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1524",
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"results": [
{
"id": "jvasp-51120",
"created_at": "2022-09-04T14:36:58.457310Z",
"updated_at": "2022-09-04T14:36:58.457336Z",
"structure_string": "Li2 Ga1 Sb1\n1.0\n0.000000 3.374880 3.374880\n3.374880 0.000000 3.374880\n3.374880 3.374880 -0.000000\nLi Ga Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Sb\n",
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],
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"volume": 76.87851779159655,
"volume_molar": 11.57433138902897,
"formula_full": "Li2 Ga1 Sb1",
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},
{
"id": "jvasp-9423",
"created_at": "2022-09-04T14:36:42.299687Z",
"updated_at": "2022-09-04T14:36:42.299738Z",
"structure_string": "Li4 Ga4 S8\n1.0\n6.262687 0.000000 0.000000\n0.000000 6.552438 0.000000\n0.000000 0.000000 7.834132\nLi Ga S\n4 4 8\ndirect\n0.619134 0.585698 0.122551 Li\n0.119134 0.914302 0.622551 Li\n0.619134 0.085698 0.377449 Li\n0.119134 0.414302 0.877449 Li\n0.622114 0.574638 0.625856 Ga\n0.122114 0.425363 0.374144 Ga\n0.122114 0.925363 0.125856 Ga\n0.622114 0.074637 0.874144 Ga\n0.990487 0.069513 0.880841 S\n0.990487 0.569513 0.619158 S\n0.490487 0.930488 0.119159 S\n0.490487 0.430487 0.380841 S\n0.504475 0.907815 0.633234 S\n0.004475 0.092186 0.366766 S\n0.004475 0.592186 0.133234 S\n0.504475 0.407815 0.866766 S\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ga-Li-S",
"density": 2.9089665299508876,
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"volume": 321.4804088472307,
"volume_molar": 12.10000171037733,
"formula_full": "Li4 Ga4 S8",
"formula_reduced": "LiGaS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7301855812500001,
"spacegroup": 33
},
{
"id": "jvasp-17757",
"created_at": "2022-09-04T14:37:27.119428Z",
"updated_at": "2022-09-04T14:37:27.119453Z",
"structure_string": "Li1 Ga2 Ru1\n1.0\n3.710327 -0.000000 2.142158\n1.236776 3.498130 2.142158\n0.000000 0.000000 4.284316\nLi Ga Ru\n1 2 1\ndirect\n0.500001 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750001 0.750000 0.750001 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Ru"
],
"chemical_system": "Ga-Li-Ru",
"density": 7.389570783148272,
"density_atomic": 0.07193336285088875,
"volume": 55.6070207407324,
"volume_molar": 8.371832653623251,
"formula_full": "Li1 Ga2 Ru1",
"formula_reduced": "LiGa2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9958437875,
"spacegroup": 225
},
{
"id": "jvasp-15478",
"created_at": "2022-09-04T14:35:48.846846Z",
"updated_at": "2022-09-04T14:35:48.846863Z",
"structure_string": "Li1 Ga2 Rh1\n1.0\n3.722490 -0.000000 2.149180\n1.240830 3.509598 2.149180\n0.000000 0.000000 4.298362\nLi Ga Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750001 0.749999 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Rh"
],
"chemical_system": "Ga-Li-Rh",
"density": 7.371644932461855,
"density_atomic": 0.07123051585004328,
"volume": 56.15570731540012,
"volume_molar": 8.454439348267531,
"formula_full": "Li1 Ga2 Rh1",
"formula_reduced": "LiGa2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5437519125000001,
"spacegroup": 225
},
{
"id": "jvasp-42004",
"created_at": "2022-09-04T14:37:37.027004Z",
"updated_at": "2022-09-04T14:37:37.027024Z",
"structure_string": "Li1 Ga1 Rh2\n1.0\n-0.000002 2.968531 2.968531\n2.968528 -0.000001 2.968530\n2.968522 2.968524 0.000005\nLi Ga Rh\n1 1 2\ndirect\n0.749997 0.749999 0.749999 Li\n0.249998 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n0.499998 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Rh"
],
"chemical_system": "Ga-Li-Rh",
"density": 8.965529888507112,
"density_atomic": 0.07645516664516902,
"volume": 52.31824316810574,
"volume_molar": 7.876695616856027,
"formula_full": "Li1 Ga1 Rh2",
"formula_reduced": "LiGaRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3774820812500002,
"spacegroup": 225
},
{
"id": "jvasp-15118",
"created_at": "2022-09-04T14:36:15.671201Z",
"updated_at": "2022-09-04T14:36:15.671221Z",
"structure_string": "Li2 Ga1 Rh1\n1.0\n3.655319 -0.000000 2.110399\n1.218440 3.446268 2.110399\n-0.000000 -0.000000 4.220798\nLi Ga Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Ga",
"Rh"
],
"chemical_system": "Ga-Li-Rh",
"density": 5.8248330793305705,
"density_atomic": 0.07523000521548147,
"volume": 53.170274128558034,
"volume_molar": 8.004971876249071,
"formula_full": "Li2 Ga1 Rh1",
"formula_reduced": "Li2GaRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.83284133125,
"spacegroup": 216
},
{
"id": "jvasp-40279",
"created_at": "2022-09-04T14:37:46.827211Z",
"updated_at": "2022-09-04T14:37:46.827232Z",
"structure_string": "Li1 Ga1 Pt2\n1.0\n0.000000 3.027400 3.027400\n3.027400 -0.000000 3.027400\n3.027400 3.027400 -0.000000\nLi Ga Pt\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Li\n0.249999 0.249999 0.249999 Ga\n0.500001 0.500001 0.500001 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
"Li",
"Ga",
"Pt"
],
"chemical_system": "Ga-Li-Pt",
"density": 13.969160269053699,
"density_atomic": 0.07208096228905678,
"volume": 55.49315482164801,
"volume_molar": 8.354689738810926,
"formula_full": "Li1 Ga1 Pt2",
"formula_reduced": "LiGaPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-15260",
"created_at": "2022-09-04T14:35:47.216759Z",
"updated_at": "2022-09-04T14:35:47.216782Z",
"structure_string": "Li2 Ga1 Pt1\n1.0\n3.702487 0.000000 2.137632\n1.234162 3.490739 2.137632\n-0.000000 -0.000000 4.275264\nLi Ga Pt\n2 1 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.250000 0.250000 0.249999 Li\n0.750000 0.750000 0.749998 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Pt"
],
"chemical_system": "Ga-Li-Pt",
"density": 8.375197678062834,
"density_atomic": 0.0723912595438634,
"volume": 55.2552894535053,
"volume_molar": 8.31887827058881,
"formula_full": "Li2 Ga1 Pt1",
"formula_reduced": "Li2GaPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7194434312499999,
"spacegroup": 216
},
{
"id": "jvasp-17685",
"created_at": "2022-09-04T14:38:20.132997Z",
"updated_at": "2022-09-04T14:38:20.133016Z",
"structure_string": "Li1 Ga2 Pt1\n1.0\n3.781338 -0.000000 2.183156\n1.260446 3.565079 2.183156\n-0.000000 -0.000000 4.366313\nLi Ga Pt\n1 2 1\ndirect\n0.500001 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750001 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Ga",
"Pt"
],
"chemical_system": "Ga-Li-Pt",
"density": 9.633262657632054,
"density_atomic": 0.06795641647151286,
"volume": 58.86125560603668,
"volume_molar": 8.8617691642473,
"formula_full": "Li1 Ga2 Pt1",
"formula_reduced": "LiGa2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4587790125000001,
"spacegroup": 225
},
{
"id": "jvasp-107451",
"created_at": "2022-09-04T14:36:51.632788Z",
"updated_at": "2022-09-04T14:36:51.632813Z",
"structure_string": "Li2 Pr1 Ga1\n1.0\n4.146657 -0.000000 2.394074\n1.382219 3.909506 2.394074\n0.000000 -0.000000 4.788147\nLi Pr Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.749999 Li\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500001 0.499999 Ga\n",
"nsites": 4,
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"elements": [
"Li",
"Pr",
"Ga"
],
"chemical_system": "Ga-Li-Pr",
"density": 4.802887799316488,
"density_atomic": 0.05153146852431864,
"volume": 77.62247253078625,
"volume_molar": 11.686336392990706,
"formula_full": "Li2 Pr1 Ga1",
"formula_reduced": "Li2PrGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5776905437500002,
"spacegroup": 225
},
{
"id": "jvasp-110444",
"created_at": "2022-09-04T14:38:38.674236Z",
"updated_at": "2022-09-04T14:38:38.674260Z",
"structure_string": "Li1 Pr2 Ga1\n1.0\n4.562226 0.000000 2.634003\n1.520742 4.301308 2.634003\n-0.000000 -0.000000 5.268004\nLi Pr Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.749998 Pr\n0.250000 0.250000 0.249999 Pr\n0.500000 0.500000 0.499999 Ga\n",
"nsites": 4,
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"elements": [
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"Pr",
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],
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"density": 5.758239803703389,
"density_atomic": 0.03869337017754742,
"volume": 103.37688295554771,
"volume_molar": 15.563753512208828,
"formula_full": "Li1 Pr2 Ga1",
"formula_reduced": "LiPr2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8355805062499999,
"spacegroup": 225
},
{
"id": "jvasp-99809",
"created_at": "2022-09-04T14:36:22.726941Z",
"updated_at": "2022-09-04T14:36:22.726968Z",
"structure_string": "Li1 Pm1 Ga2\n1.0\n4.236290 -0.000000 2.445824\n1.412097 3.994013 2.445824\n-0.000000 -0.000000 4.891646\nLi Pm Ga\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Ga\n0.750001 0.750000 0.749999 Ga\n",
"nsites": 4,
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"elements": [
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"Pm",
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],
"chemical_system": "Ga-Li-Pm",
"density": 5.846138400920266,
"density_atomic": 0.04832922314989987,
"volume": 82.76565893876338,
"volume_molar": 12.460661205584632,
"formula_full": "Li1 Pm1 Ga2",
"formula_reduced": "LiPmGa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.23118645625,
"spacegroup": 225
}
]
}