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{
"id": "jvasp-107185",
"created_at": "2022-09-04T14:38:42.911278Z",
"updated_at": "2022-09-04T14:38:42.911312Z",
"structure_string": "Li2 Ga6\n1.0\n5.910923 0.000000 0.000000\n-2.955460 5.119010 0.000000\n-0.000000 0.000000 4.586654\nLi Ga\n2 6\ndirect\n0.666666 0.333333 0.250000 Li\n0.333333 0.666667 0.749999 Li\n0.832279 0.167721 0.749999 Ga\n0.335441 0.167721 0.749999 Ga\n0.832279 0.664559 0.749999 Ga\n0.167721 0.832279 0.250000 Ga\n0.664559 0.832279 0.250000 Ga\n0.167721 0.335441 0.250000 Ga\n",
"nsites": 8,
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"formula_full": "Li2 Ga6",
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"spacegroup": 194
},
{
"id": "jvasp-18520",
"created_at": "2022-09-04T14:35:49.750876Z",
"updated_at": "2022-09-04T14:35:49.750896Z",
"structure_string": "Li4 Ga2\n1.0\n4.333522 -0.000000 0.000000\n-0.000000 4.031864 -1.927621\n0.000000 0.007416 5.195899\nLi Ga\n4 2\ndirect\n0.250000 0.586062 0.172124 Li\n0.750000 0.413938 0.827877 Li\n0.750000 0.759041 0.518083 Li\n0.250000 0.240959 0.481917 Li\n0.250000 0.920017 0.840033 Ga\n0.750000 0.079983 0.159967 Ga\n",
"nsites": 6,
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"elements": [
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"volume": 90.8455863448465,
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"formula_full": "Li4 Ga2",
"formula_reduced": "Li2Ga",
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"spacegroup": 63
},
{
"id": "jvasp-40308",
"created_at": "2022-09-04T14:37:47.760183Z",
"updated_at": "2022-09-04T14:37:47.760215Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 -0.000000 -0.000000\n-0.000000 4.078895 -0.000000\n-0.000000 -0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"density": 5.288060115018933,
"density_atomic": 0.05894302414694536,
"volume": 67.86214412799677,
"volume_molar": 10.2168846053551,
"formula_full": "Li1 Ga3",
"formula_reduced": "LiGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062974999999999,
"spacegroup": 221
},
{
"id": "jvasp-79330",
"created_at": "2022-09-04T14:37:19.078535Z",
"updated_at": "2022-09-04T14:37:19.078563Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 -0.000000 -0.000000\n0.000000 4.078895 -0.000000\n0.000000 -0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500002 0.000000 0.500002 Ga\n0.000000 0.500002 0.500002 Ga\n0.500002 0.500002 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 5.288060115018933,
"density_atomic": 0.05894302414694536,
"volume": 67.86214412799677,
"volume_molar": 10.2168846053551,
"formula_full": "Li1 Ga3",
"formula_reduced": "LiGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062974999999999,
"spacegroup": 221
},
{
"id": "jvasp-19665",
"created_at": "2022-09-04T14:38:14.667030Z",
"updated_at": "2022-09-04T14:38:14.667048Z",
"structure_string": "Li2 Ga2\n1.0\n3.811105 -0.000000 2.200342\n1.270369 3.593144 2.200342\n-0.000000 -0.000000 4.400685\nLi Ga\n2 2\ndirect\n0.625000 0.624999 0.624999 Li\n0.375000 0.375000 0.374999 Li\n0.125000 0.125000 0.125000 Ga\n0.875000 0.874999 0.874999 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 4.224980886740803,
"density_atomic": 0.06637647296529124,
"volume": 60.26231616873692,
"volume_molar": 9.07270376229394,
"formula_full": "Li2 Ga2",
"formula_reduced": "LiGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.052055,
"spacegroup": 227
},
{
"id": "jvasp-109285",
"created_at": "2022-09-04T14:38:16.145617Z",
"updated_at": "2022-09-04T14:38:16.145643Z",
"structure_string": "Li2 F6\n1.0\n4.421903 0.000000 0.000000\n-2.210951 3.829481 0.000000\n-0.000000 0.000000 4.877416\nLi F\n2 6\ndirect\n0.666666 0.333333 0.250000 Li\n0.333333 0.666666 0.750001 Li\n0.830617 0.169382 0.750001 F\n0.338764 0.169382 0.750001 F\n0.830617 0.661236 0.750001 F\n0.169382 0.830618 0.250000 F\n0.661236 0.830618 0.250000 F\n0.169382 0.338764 0.250000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 2.570911043454728,
"density_atomic": 0.09686147043958158,
"volume": 82.59217998337212,
"volume_molar": 6.217271669189017,
"formula_full": "Li2 F6",
"formula_reduced": "LiF3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-1130",
"created_at": "2022-09-04T14:37:09.447898Z",
"updated_at": "2022-09-04T14:37:09.447916Z",
"structure_string": "Li1 F1\n1.0\n2.458817 -0.000000 1.419599\n0.819606 2.318195 1.419599\n-0.000000 -0.000000 2.839197\nLi F\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 2.6615668452499306,
"density_atomic": 0.12358287556733973,
"volume": 16.183471948022518,
"volume_molar": 4.87295730282515,
"formula_full": "Li1 F1",
"formula_reduced": "LiF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0181250000000001,
"spacegroup": 225
},
{
"id": "jvasp-118892",
"created_at": "2022-09-04T14:38:50.500523Z",
"updated_at": "2022-09-04T14:38:50.500545Z",
"structure_string": "Li2 F1\n1.0\n2.705316 0.000000 -0.121915\n0.000000 2.906310 0.000000\n-0.238904 0.000000 4.955475\nLi F\n2 1\ndirect\n-0.083643 0.000000 -0.114909 Li\n0.016968 0.000000 0.381585 Li\n0.466676 0.000000 0.133325 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
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],
"chemical_system": "F-Li",
"density": 1.404383034512941,
"density_atomic": 0.07716504204287462,
"volume": 38.87770835831506,
"volume_molar": 7.804234405333394,
"formula_full": "Li2 F1",
"formula_reduced": "Li2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6870533333333335,
"spacegroup": 10
},
{
"id": "jvasp-118886",
"created_at": "2022-09-04T14:38:47.789303Z",
"updated_at": "2022-09-04T14:38:47.789317Z",
"structure_string": "Li1 F2\n1.0\n3.679701 -0.000000 0.000000\n-1.839851 3.186715 0.000000\n0.000000 0.000000 3.512571\nLi F\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666665 0.000000 F\n0.666665 0.333332 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 1.8116741995503978,
"density_atomic": 0.07283504415598137,
"volume": 41.18896383964962,
"volume_molar": 8.268191266697336,
"formula_full": "Li1 F2",
"formula_reduced": "LiF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5037234274999999,
"spacegroup": 191
},
{
"id": "jvasp-120282",
"created_at": "2022-09-04T14:38:46.875910Z",
"updated_at": "2022-09-04T14:38:46.875938Z",
"structure_string": "Li1 F3\n1.0\n3.767780 -0.140937 -0.585422\n-0.415587 -4.034806 -0.010920\n0.166697 -2.331131 -2.790600\nLi F\n1 3\ndirect\n0.621919 0.218262 0.208900 Li\n0.822246 0.868220 0.952029 F\n0.517363 0.576355 0.552765 F\n0.092033 0.165260 0.352956 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
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],
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"density": 2.5564108067692715,
"density_atomic": 0.09631516050379013,
"volume": 41.53032584981878,
"volume_molar": 6.252536701906883,
"formula_full": "Li1 F3",
"formula_reduced": "LiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.38945014125,
"spacegroup": 1
},
{
"id": "jvasp-120283",
"created_at": "2022-09-04T14:38:46.914558Z",
"updated_at": "2022-09-04T14:38:46.914579Z",
"structure_string": "Li3 F1\n1.0\n5.773581 -0.071723 -0.804196\n-2.372458 -4.080426 0.376523\n-1.593067 -1.393813 -2.157738\nLi F\n3 1\ndirect\n-0.030298 0.074994 0.709992 Li\n0.266765 0.721487 0.762143 Li\n0.624124 0.400182 0.854040 Li\n-0.003362 0.585285 0.149326 F\n",
"nsites": 4,
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"elements": [
"Li",
"F"
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"density": 1.1633140316469355,
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"volume": 56.84191362053398,
"volume_molar": 8.557750122265421,
"formula_full": "Li3 F1",
"formula_reduced": "Li3F",
"formula_anonymous": "AB3",
"energy_above_hull": 0.836485,
"spacegroup": 8
},
{
"id": "jvasp-118887",
"created_at": "2022-09-04T14:38:30.083872Z",
"updated_at": "2022-09-04T14:38:30.083901Z",
"structure_string": "Li2 F1\n1.0\n3.761697 0.000000 -0.000000\n-1.880848 3.257725 0.000000\n0.000000 0.000000 3.450773\nLi F\n2 1\ndirect\n0.333333 0.666668 0.000000 Li\n0.666667 0.333334 0.000000 Li\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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"density": 1.2911348665786382,
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"volume": 42.28775432565101,
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"formula_full": "Li2 F1",
"formula_reduced": "Li2F",
"formula_anonymous": "AB2",
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"spacegroup": 191
}
]
}