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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=127",
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"results": [
{
"id": "jvasp-2244",
"created_at": "2022-09-04T14:36:47.600378Z",
"updated_at": "2022-09-04T14:36:47.600403Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.162151 -0.001044 9.517693\n1.989250 3.656006 9.517693\n-0.001757 -0.001044 10.387973\nSb Te Se\n2 2 1\ndirect\n0.892919 0.892924 0.892919 Sb\n0.107079 0.107079 0.107079 Sb\n0.715906 0.715910 0.715907 Te\n0.284091 0.284093 0.284092 Te\n0.499999 0.500002 0.499999 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 6.064491157911398,
"density_atomic": 0.03161025083379966,
"volume": 158.17653666492538,
"volume_molar": 19.051227374509633,
"formula_full": "Sb2 Te2 Se1",
"formula_reduced": "Sb2Te2Se",
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"spacegroup": 166
},
{
"id": "jvasp-110546",
"created_at": "2022-09-04T14:38:37.456095Z",
"updated_at": "2022-09-04T14:38:37.456120Z",
"structure_string": "Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"chemical_system": "Sb-Se-Te",
"density": 5.976554826595167,
"density_atomic": 0.032521012033803885,
"volume": 307.4935057250225,
"volume_molar": 18.517691742619512,
"formula_full": "Sb4 Te3 Se3",
"formula_reduced": "Sb4(TeSe)3",
"formula_anonymous": "A3B3C4",
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"spacegroup": 8
},
{
"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,
"nelements": 2,
"elements": [
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"Se"
],
"chemical_system": "Sb-Se",
"density": 5.807626780461168,
"density_atomic": 0.037515388263982936,
"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-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,
"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-21869",
"created_at": "2022-09-04T14:37:29.090171Z",
"updated_at": "2022-09-04T14:37:29.090198Z",
"structure_string": "Sc2 U6 Sb10\n1.0\n4.561599 -7.900921 0.000000\n4.561599 7.900921 -0.000000\n0.000000 0.000000 6.175020\nSc U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.387679 0.000000 0.250000 U\n0.000000 0.612321 0.750000 U\n0.387679 0.387679 0.750000 U\n0.612321 0.612321 0.250000 U\n0.000000 0.387679 0.250000 U\n0.612321 0.000000 0.750000 U\n0.000000 0.729841 0.250000 Sb\n0.270159 0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.729841 0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.270159 0.270159 0.250000 Sb\n0.000000 0.270159 0.750000 Sb\n0.729841 0.729841 0.750000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sc",
"U",
"Sb"
],
"chemical_system": "Sb-Sc-U",
"density": 10.205917264663526,
"density_atomic": 0.04043982958133421,
"volume": 445.10573329191897,
"volume_molar": 14.891607660927523,
"formula_full": "Sc2 U6 Sb10",
"formula_reduced": "ScU3Sb5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.717969305555556,
"spacegroup": 193
},
{
"id": "jvasp-37256",
"created_at": "2022-09-04T14:37:57.951630Z",
"updated_at": "2022-09-04T14:37:57.951657Z",
"structure_string": "Sc3 Sb1\n1.0\n-2.148909 2.148909 4.876693\n2.148909 -2.148909 4.876693\n2.148909 2.148909 -4.876693\nSc Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Sc\n0.250000 0.750000 0.500000 Sc\n0.500001 0.500001 0.000000 Sc\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Sb"
],
"chemical_system": "Sb-Sc",
"density": 4.7307634481824445,
"density_atomic": 0.04440568091527403,
"volume": 90.0785646690565,
"volume_molar": 13.56164489739553,
"formula_full": "Sc3 Sb1",
"formula_reduced": "Sc3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2241529625,
"spacegroup": 139
},
{
"id": "jvasp-14775",
"created_at": "2022-09-04T14:38:12.087445Z",
"updated_at": "2022-09-04T14:38:12.087480Z",
"structure_string": "Sc1 Sb1\n1.0\n3.596701 -0.000000 2.076557\n1.198900 3.391002 2.076557\n-0.000000 0.000000 4.153114\nSc Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500001 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Sb"
],
"chemical_system": "Sb-Sc",
"density": 5.46537437281025,
"density_atomic": 0.039484238061852375,
"volume": 50.65312383303393,
"volume_molar": 15.252012082812053,
"formula_full": "Sc1 Sb1",
"formula_reduced": "ScSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.902910675,
"spacegroup": 225
},
{
"id": "jvasp-15773",
"created_at": "2022-09-04T14:36:57.718454Z",
"updated_at": "2022-09-04T14:36:57.718478Z",
"structure_string": "Sc4 Sb2\n1.0\n4.206704 0.000000 -0.000000\n0.000000 4.206704 0.000000\n0.000000 0.000000 7.829249\nSc Sb\n4 2\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.343192 Sc\n0.500000 0.000000 0.656808 Sc\n0.000000 0.500000 0.718888 Sb\n0.500000 0.000000 0.281112 Sb\n",
"nsites": 6,
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"elements": [
"Sc",
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],
"chemical_system": "Sb-Sc",
"density": 5.07385592363176,
"density_atomic": 0.04330591667972245,
"volume": 138.54919743124702,
"volume_molar": 13.906046151933333,
"formula_full": "Sc4 Sb2",
"formula_reduced": "Sc2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7495355333333331,
"spacegroup": 129
},
{
"id": "jvasp-16887",
"created_at": "2022-09-04T14:37:37.578347Z",
"updated_at": "2022-09-04T14:37:37.578373Z",
"structure_string": "Sc1 Sb1\n1.0\n3.619439 -0.000000 -0.000000\n-0.000000 3.619439 0.000000\n-0.000000 0.000000 3.619439\nSc Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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],
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"density": 5.8385145249651,
"density_atomic": 0.04217996457446129,
"volume": 47.4158767124935,
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"formula_full": "Sc1 Sb1",
"formula_reduced": "ScSb",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-25208",
"created_at": "2022-09-04T14:38:30.964608Z",
"updated_at": "2022-09-04T14:38:30.964623Z",
"structure_string": "Sb4\n1.0\n3.881770 -0.000000 1.332429\n1.940885 5.778871 0.666215\n0.064720 -0.000000 6.132049\nSb\n4\ndirect\n0.652164 0.195673 0.500000 Sb\n0.152165 0.500000 0.195673 Sb\n0.347837 0.804327 0.500001 Sb\n0.847836 0.500000 0.804328 Sb\n",
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"formula_full": "Sb4",
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"formula_anonymous": "A",
"energy_above_hull": 0.30864,
"spacegroup": 140
},
{
"id": "jvasp-14821",
"created_at": "2022-09-04T14:36:15.565741Z",
"updated_at": "2022-09-04T14:36:15.565773Z",
"structure_string": "Sb2\n1.0\n1.695871 -2.937334 -0.000000\n1.695871 2.937334 -0.000000\n0.000000 -0.000000 5.615475\nSb\n2\ndirect\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.749999 Sb\n",
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"formula_full": "Sb2",
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"formula_anonymous": "A",
"energy_above_hull": 0.30369,
"spacegroup": 194
}
]
}