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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=357",
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"results": [
{
"id": "jvasp-16525",
"created_at": "2022-09-04T14:37:51.090516Z",
"updated_at": "2022-09-04T14:37:51.090541Z",
"structure_string": "Ga1 Pt3\n1.0\n3.947356 -0.000000 -0.000000\n0.000000 3.947356 -0.000000\n0.000000 -0.000000 3.947356\nGa Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500001 0.500001 Pt\n0.500001 0.500001 0.000000 Pt\n0.500001 0.000000 0.500001 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Ga-Pt",
"density": 17.682958734436202,
"density_atomic": 0.06503409540141027,
"volume": 61.50619879173809,
"volume_molar": 9.259974668409717,
"formula_full": "Ga1 Pt3",
"formula_reduced": "GaPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.75413163125,
"spacegroup": 221
},
{
"id": "jvasp-110420",
"created_at": "2022-09-04T14:38:39.841653Z",
"updated_at": "2022-09-04T14:38:39.841666Z",
"structure_string": "Ga6 Rh2\n1.0\n5.266233 0.000000 -0.000000\n-2.633117 4.560691 0.000000\n-0.000000 -0.000000 5.319979\nGa Rh\n6 2\ndirect\n0.170038 0.340076 0.250000 Ga\n0.659923 0.829962 0.250000 Ga\n0.170037 0.829962 0.250000 Ga\n0.829961 0.659924 0.750000 Ga\n0.340075 0.170038 0.750000 Ga\n0.829962 0.170038 0.750000 Ga\n0.333332 0.666667 0.750000 Rh\n0.666666 0.333333 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 8.11141720879881,
"density_atomic": 0.06261081403492258,
"volume": 127.77345452716557,
"volume_molar": 9.61837160692563,
"formula_full": "Ga6 Rh2",
"formula_reduced": "Ga3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.35113249375,
"spacegroup": 194
},
{
"id": "jvasp-14556",
"created_at": "2022-09-04T14:36:10.076425Z",
"updated_at": "2022-09-04T14:36:10.076459Z",
"structure_string": "Ga1 Rh1\n1.0\n3.036477 -0.000000 0.000000\n-0.000000 3.036477 -0.000000\n0.000000 0.000000 3.036477\nGa Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 10.238860046235864,
"density_atomic": 0.07143647363173614,
"volume": 27.996902679018667,
"volume_molar": 8.430064438853575,
"formula_full": "Ga1 Rh1",
"formula_reduced": "GaRh",
"formula_anonymous": "AB",
"energy_above_hull": 0.5066026625000002,
"spacegroup": 221
},
{
"id": "jvasp-122047",
"created_at": "2022-09-04T14:38:54.742183Z",
"updated_at": "2022-09-04T14:38:54.742215Z",
"structure_string": "Ga12 Rh4\n1.0\n6.547975 -0.000000 0.000000\n0.000000 6.547975 0.000000\n-0.000000 -0.000000 6.683585\nGa Rh\n12 4\ndirect\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n-0.000000 0.500000 -0.000000 Ga\n0.355642 0.644358 0.247897 Ga\n0.644358 0.355642 0.247897 Ga\n0.144358 0.144358 0.747897 Ga\n0.855641 0.855641 0.747897 Ga\n0.644358 0.355642 0.752102 Ga\n0.355642 0.644358 0.752102 Ga\n0.855641 0.855641 0.252103 Ga\n0.144358 0.144358 0.252103 Ga\n0.160947 0.839053 0.500000 Rh\n0.839053 0.160947 0.500000 Rh\n0.339053 0.339053 -0.000000 Rh\n0.660946 0.660946 -0.000000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 7.233423141848005,
"density_atomic": 0.05583370938914109,
"volume": 286.56523406828825,
"volume_molar": 10.785851103009872,
"formula_full": "Ga12 Rh4",
"formula_reduced": "Ga3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.29282499375,
"spacegroup": 136
},
{
"id": "jvasp-117334",
"created_at": "2022-09-04T14:38:26.140225Z",
"updated_at": "2022-09-04T14:38:26.140253Z",
"structure_string": "Ga18 Rh4\n1.0\n6.465560 0.000000 0.000000\n0.000000 6.476755 0.340012\n-0.000000 -0.052518 8.917440\nGa Rh\n18 4\ndirect\n0.500000 -0.000000 0.500000 Ga\n0.604853 0.202756 0.957580 Ga\n0.104853 0.797244 0.542420 Ga\n0.395147 0.797245 0.042420 Ga\n0.895147 0.202756 0.457580 Ga\n0.197587 0.396508 0.004879 Ga\n0.697587 0.603493 0.495121 Ga\n0.802413 0.603493 0.995121 Ga\n0.284430 0.101757 0.772821 Ga\n0.302413 0.396507 0.504879 Ga\n0.715570 0.898243 0.227178 Ga\n0.215570 0.101757 0.272821 Ga\n0.990502 0.398609 0.727739 Ga\n0.490502 0.601391 0.772260 Ga\n0.009498 0.601391 0.272260 Ga\n0.509498 0.398609 0.227739 Ga\n0.000000 0.000000 0.000000 Ga\n0.784430 0.898243 0.727178 Ga\n0.128311 0.739593 0.831110 Rh\n0.871689 0.260407 0.168890 Rh\n0.371689 0.739593 0.331110 Rh\n0.628311 0.260407 0.668890 Rh\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 7.408866893087656,
"density_atomic": 0.0588958395828077,
"volume": 373.5408163944746,
"volume_molar": 10.225069890603827,
"formula_full": "Ga18 Rh4",
"formula_reduced": "Ga9Rh2",
"formula_anonymous": "A2B9",
"energy_above_hull": 0.1721515386363635,
"spacegroup": 14
},
{
"id": "jvasp-110786",
"created_at": "2022-09-04T14:38:46.125829Z",
"updated_at": "2022-09-04T14:38:46.125853Z",
"structure_string": "Ga1 Rh3\n1.0\n3.521562 -0.005612 -3.026830\n-0.745854 3.441676 -3.026830\n0.004533 0.005612 4.643606\nGa Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.749999 0.250000 0.500000 Rh\n0.250000 0.750001 0.500001 Rh\n0.500000 0.500001 0.000001 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 11.145798781300392,
"density_atomic": 0.07094562715236988,
"volume": 56.381205728285444,
"volume_molar": 8.488388927856331,
"formula_full": "Ga1 Rh3",
"formula_reduced": "GaRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.97948783125,
"spacegroup": 139
},
{
"id": "jvasp-18196",
"created_at": "2022-09-04T14:37:27.165734Z",
"updated_at": "2022-09-04T14:37:27.165769Z",
"structure_string": "Ga1 Ru1\n1.0\n3.028479 -0.000000 0.000000\n0.000000 3.028479 -0.000000\n-0.000000 0.000000 3.028479\nGa Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru",
"density": 10.210463681672143,
"density_atomic": 0.0720039457555599,
"volume": 27.776255578959944,
"volume_molar": 8.363626044111603,
"formula_full": "Ga1 Ru1",
"formula_reduced": "GaRu",
"formula_anonymous": "AB",
"energy_above_hull": 1.2334164125,
"spacegroup": 221
},
{
"id": "jvasp-93740",
"created_at": "2022-09-04T14:36:20.659844Z",
"updated_at": "2022-09-04T14:36:20.659858Z",
"structure_string": "Ga4 Ru2\n1.0\n4.148520 2.390896 0.000000\n-4.148520 2.390896 0.000000\n-0.000000 -2.390896 4.368163\nGa Ru\n4 2\ndirect\n0.955254 0.544747 0.749999 Ga\n0.294746 0.205253 0.749999 Ga\n0.044746 0.455254 0.250000 Ga\n0.705255 0.794747 0.250000 Ga\n0.625000 0.875000 0.749999 Ru\n0.375000 0.125000 0.250000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru",
"density": 9.218077614572254,
"density_atomic": 0.06924183125123871,
"volume": 86.65282086820403,
"volume_molar": 8.69725807532317,
"formula_full": "Ga4 Ru2",
"formula_reduced": "Ga2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9564017166666672,
"spacegroup": 70
},
{
"id": "jvasp-22517",
"created_at": "2022-09-04T14:35:52.928620Z",
"updated_at": "2022-09-04T14:35:52.928646Z",
"structure_string": "Ga4 S4\n1.0\n3.623857 -0.000000 -0.000000\n-1.811929 3.138353 0.000000\n0.000000 0.000000 15.462802\nGa S\n4 4\ndirect\n0.000000 0.000000 0.170579 Ga\n0.000000 0.000000 0.670579 Ga\n0.000000 0.000000 0.329421 Ga\n0.000000 0.000000 0.829421 Ga\n0.666667 0.333333 0.100576 S\n0.333333 0.666666 0.600576 S\n0.666667 0.333333 0.399424 S\n0.333333 0.666666 0.899424 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"S"
],
"chemical_system": "Ga-S",
"density": 3.8445421984766233,
"density_atomic": 0.04549136299954228,
"volume": 175.8575578419247,
"volume_molar": 13.237987087923903,
"formula_full": "Ga4 S4",
"formula_reduced": "GaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1344161625000001,
"spacegroup": 194
},
{
"id": "jvasp-143",
"created_at": "2022-09-04T14:36:43.170068Z",
"updated_at": "2022-09-04T14:36:43.170086Z",
"structure_string": "Ga4 S4\n1.0\n1.810385 -3.135678 0.000000\n1.810385 3.135678 0.000000\n0.000000 0.000000 15.583635\nGa S\n4 4\ndirect\n0.333332 0.666666 0.671205 Ga\n0.666666 0.333332 0.171205 Ga\n0.666666 0.333332 0.328794 Ga\n0.333332 0.666666 0.828794 Ga\n0.333332 0.666666 0.101617 S\n0.666666 0.333332 0.601617 S\n0.666666 0.333332 0.898382 S\n0.333332 0.666666 0.398383 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"S"
],
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"density": 3.8212416705499237,
"density_atomic": 0.04521565454863376,
"volume": 176.9298726261993,
"volume_molar": 13.31870747004804,
"formula_full": "Ga4 S4",
"formula_reduced": "GaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1346311625,
"spacegroup": 194
},
{
"id": "jvasp-122705",
"created_at": "2022-09-04T14:38:52.178874Z",
"updated_at": "2022-09-04T14:38:52.178902Z",
"structure_string": "Ga3 S1\n1.0\n4.889106 0.314750 -0.038924\n-2.091112 4.430539 0.038924\n0.029751 -0.017542 3.586992\nGa S\n3 1\ndirect\n0.355739 0.644262 0.249911 Ga\n0.894259 0.105742 0.249984 Ga\n0.624994 0.375007 0.750021 Ga\n0.125010 0.874991 0.750083 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.0030121473025195,
"density_atomic": 0.0499578722492808,
"volume": 80.06746124095757,
"volume_molar": 12.054438047222268,
"formula_full": "Ga3 S1",
"formula_reduced": "Ga3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.09019924375,
"spacegroup": 65
},
{
"id": "jvasp-106072",
"created_at": "2022-09-04T14:36:17.730255Z",
"updated_at": "2022-09-04T14:36:17.730280Z",
"structure_string": "Ga2 S3\n1.0\n4.875664 -0.007327 -4.208594\n-0.443295 3.496787 -5.390769\n-0.041496 0.007327 6.440702\nGa S\n2 3\ndirect\n0.833054 0.841195 0.991862 Ga\n0.150668 0.158807 0.991862 Ga\n0.101843 0.338075 0.763768 S\n0.425692 0.661926 0.763768 S\n0.738737 -0.000000 0.738737 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
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"density": 3.577303887639528,
"density_atomic": 0.04571154332248054,
"volume": 109.38156178028326,
"volume_molar": 13.174223231790041,
"formula_full": "Ga2 S3",
"formula_reduced": "Ga2S3",
"formula_anonymous": "A2B3",
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"spacegroup": 44
}
]
}