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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3853",
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"results": [
{
"id": "jvasp-18993",
"created_at": "2022-09-04T14:37:06.454255Z",
"updated_at": "2022-09-04T14:37:06.454276Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 -0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
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"spacegroup": 62
},
{
"id": "jvasp-123706",
"created_at": "2022-09-04T14:38:55.131011Z",
"updated_at": "2022-09-04T14:38:55.131035Z",
"structure_string": "Sb1 Se2\n1.0\n1.972763 -3.401294 -0.050296\n1.959227 3.393480 -0.000000\n0.008821 -0.005093 5.986117\nSb Se\n1 2\ndirect\n0.000000 0.333279 0.166667 Sb\n0.671383 0.669053 0.451186 Se\n0.328615 -0.002331 0.882147 Se\n",
"nsites": 3,
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"volume": 79.96718516919051,
"volume_molar": 16.052454842328324,
"formula_full": "Sb1 Se2",
"formula_reduced": "SbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-1100",
"created_at": "2022-09-04T14:37:14.535414Z",
"updated_at": "2022-09-04T14:37:14.535434Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.52104646,
"spacegroup": 62
},
{
"id": "jvasp-19010",
"created_at": "2022-09-04T14:37:07.723870Z",
"updated_at": "2022-09-04T14:37:07.723900Z",
"structure_string": "Sb8 S12\n1.0\n3.889722 0.000000 0.000000\n0.000000 11.198930 0.000000\n0.000000 0.000000 11.472696\nSb S\n8 12\ndirect\n0.750000 0.464686 0.849747 Sb\n0.250000 0.535314 0.150253 Sb\n0.250000 0.964686 0.650253 Sb\n0.750000 0.035314 0.349747 Sb\n0.250000 0.173237 0.974329 Sb\n0.750000 0.826763 0.025672 Sb\n0.750000 0.673237 0.525672 Sb\n0.250000 0.326763 0.474329 Sb\n0.750000 0.807931 0.707934 S\n0.250000 0.192069 0.292066 S\n0.750000 0.125154 0.549791 S\n0.250000 0.874846 0.450210 S\n0.250000 0.625154 0.950210 S\n0.250000 0.940666 0.124163 S\n0.750000 0.440666 0.375837 S\n0.250000 0.559334 0.624163 S\n0.750000 0.692069 0.207934 S\n0.750000 0.059334 0.875838 S\n0.750000 0.374846 0.049790 S\n0.250000 0.307931 0.792066 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.515056954114765,
"density_atomic": 0.04001929341726501,
"volume": 499.7589485518417,
"volume_molar": 15.048093671243942,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.83011044,
"spacegroup": 62
},
{
"id": "jvasp-4285",
"created_at": "2022-09-04T14:38:02.159002Z",
"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.514936952093696,
"density_atomic": 0.04001822977706276,
"volume": 499.7722315908985,
"volume_molar": 15.048493632898548,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.83011044,
"spacegroup": 62
},
{
"id": "jvasp-8396",
"created_at": "2022-09-04T14:37:06.591155Z",
"updated_at": "2022-09-04T14:37:06.591182Z",
"structure_string": "Sb2 S4\n1.0\n4.906272 -0.000000 -2.231425\n-1.014875 4.800158 -2.231425\n0.238424 0.294102 7.033689\nSb S\n2 4\ndirect\n0.250000 0.750000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.837663 0.875000 0.250000 S\n0.624999 0.162337 0.750000 S\n0.412337 0.375000 0.250000 S\n0.125000 0.587663 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sb",
"S"
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"chemical_system": "S-Sb",
"density": 3.58741348272301,
"density_atomic": 0.03486563392018772,
"volume": 172.0892272813635,
"volume_molar": 17.272425832800053,
"formula_full": "Sb2 S4",
"formula_reduced": "SbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6329787000000002,
"spacegroup": 122
},
{
"id": "jvasp-79582",
"created_at": "2022-09-04T14:37:12.589113Z",
"updated_at": "2022-09-04T14:37:12.589123Z",
"structure_string": "Sb2 S2\n1.0\n2.704086 -3.034872 0.100933\n-3.168137 -2.889360 -2.016785\n-2.332104 -2.325504 -7.653739\nSb S\n2 2\ndirect\n0.750155 0.106714 0.653363 Sb\n0.249845 0.893284 0.346638 Sb\n0.250272 0.569591 0.755724 S\n0.749728 0.430407 0.244276 S\n",
"nsites": 4,
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"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.797020484301083,
"density_atomic": 0.037559996873132044,
"volume": 106.49628149626757,
"volume_molar": 16.03338993967767,
"formula_full": "Sb2 S2",
"formula_reduced": "SbS",
"formula_anonymous": "AB",
"energy_above_hull": 1.1078980500000002,
"spacegroup": 11
},
{
"id": "jvasp-8457",
"created_at": "2022-09-04T14:37:07.947945Z",
"updated_at": "2022-09-04T14:37:07.947971Z",
"structure_string": "Sb4 Ru2\n1.0\n3.243322 0.000000 0.000000\n0.000000 6.025047 -0.000000\n0.000000 -0.000000 6.760909\nSb Ru\n4 2\ndirect\n0.000000 0.182877 0.357921 Sb\n0.000000 0.817123 0.642079 Sb\n0.500000 0.682877 0.142079 Sb\n0.500000 0.317123 0.857921 Sb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 6,
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"elements": [
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb",
"density": 8.662159287263533,
"density_atomic": 0.045414616673266156,
"volume": 132.11605512751075,
"volume_molar": 13.260358010563158,
"formula_full": "Sb4 Ru2",
"formula_reduced": "Sb2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2181275666666678,
"spacegroup": 58
},
{
"id": "jvasp-14887",
"created_at": "2022-09-04T14:36:04.058274Z",
"updated_at": "2022-09-04T14:36:04.058296Z",
"structure_string": "Sb4 Ru4\n1.0\n3.892083 0.000000 0.000000\n0.000000 5.902137 0.000000\n0.000000 0.000000 6.625222\nSb Ru\n4 4\ndirect\n0.750000 0.797604 0.585581 Sb\n0.250000 0.202396 0.414419 Sb\n0.750000 0.297604 0.914419 Sb\n0.250000 0.702396 0.085581 Sb\n0.750000 0.994985 0.207652 Ru\n0.250000 0.005016 0.792348 Ru\n0.750000 0.494985 0.292348 Ru\n0.250000 0.505016 0.707652 Ru\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.725029658598666,
"density_atomic": 0.05256518199478966,
"volume": 152.19199661085491,
"volume_molar": 11.45652032670014,
"formula_full": "Sb4 Ru4",
"formula_reduced": "SbRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.0035983000000006,
"spacegroup": 62
},
{
"id": "jvasp-9135",
"created_at": "2022-09-04T14:37:17.086432Z",
"updated_at": "2022-09-04T14:37:17.086441Z",
"structure_string": "Sb8 Rh4\n1.0\n0.000000 6.721460 -0.006895\n6.660640 0.000000 0.000000\n0.000000 -3.014076 -6.083928\nSb Rh\n8 4\ndirect\n0.344684 0.638458 0.173577 Sb\n0.655316 0.138458 0.326422 Sb\n0.655315 0.361542 0.826422 Sb\n0.344683 0.861542 0.673577 Sb\n0.150372 0.362855 0.371279 Sb\n0.849628 0.862855 0.128720 Sb\n0.849627 0.637145 0.628720 Sb\n0.150372 0.137145 0.871279 Sb\n0.270629 0.000399 0.285255 Rh\n0.729370 0.500399 0.214745 Rh\n0.729370 0.999601 0.714745 Rh\n0.270629 0.499601 0.785255 Rh\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Rh-Sb",
"density": 8.443735884636682,
"density_atomic": 0.044034892975647874,
"volume": 272.51116533055335,
"volume_molar": 13.675838302435203,
"formula_full": "Sb8 Rh4",
"formula_reduced": "Sb2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 1.668605066666667,
"spacegroup": 14
},
{
"id": "jvasp-20761",
"created_at": "2022-09-04T14:38:33.918384Z",
"updated_at": "2022-09-04T14:38:33.918413Z",
"structure_string": "Sb12 Rh4\n1.0\n7.664771 0.000000 -2.709905\n-3.832384 6.637886 -2.709905\n0.000000 0.000000 8.129717\nSb Rh\n12 4\ndirect\n0.493718 0.154615 0.339104 Sb\n0.154615 0.660896 0.815511 Sb\n0.339104 0.184489 0.845385 Sb\n0.845386 0.660896 0.506282 Sb\n0.660897 0.815511 0.154614 Sb\n0.845386 0.339104 0.184489 Sb\n0.660896 0.506283 0.845385 Sb\n0.339104 0.493718 0.154615 Sb\n0.154615 0.339104 0.493718 Sb\n0.815511 0.154615 0.660896 Sb\n0.184490 0.845386 0.339104 Sb\n0.506283 0.845386 0.660896 Sb\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n-0.000000 -0.000000 0.500000 Rh\n0.500000 -0.000000 -0.000000 Rh\n",
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"density": 7.5183518560908915,
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"formula_full": "Sb12 Rh4",
"formula_reduced": "Sb3Rh",
"formula_anonymous": "AB3",
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"spacegroup": 204
},
{
"id": "jvasp-17776",
"created_at": "2022-09-04T14:38:14.632623Z",
"updated_at": "2022-09-04T14:38:14.632648Z",
"structure_string": "Sb4 Rh4\n1.0\n3.920566 0.000000 0.000000\n0.000000 6.062217 0.000000\n0.000000 0.000000 6.444919\nSb Rh\n4 4\ndirect\n0.750001 0.800823 0.591381 Sb\n0.250000 0.199177 0.408619 Sb\n0.750001 0.300823 0.908619 Sb\n0.250000 0.699178 0.091381 Sb\n0.750001 0.994253 0.195987 Rh\n0.250000 0.005748 0.804013 Rh\n0.750001 0.494252 0.304013 Rh\n0.250000 0.505748 0.695987 Rh\n",
"nsites": 8,
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"elements": [
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"density": 9.741991907610718,
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"volume": 153.17846420125755,
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"formula_full": "Sb4 Rh4",
"formula_reduced": "SbRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.28511955,
"spacegroup": 62
}
]
}