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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=126",
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"results": [
{
"id": "jvasp-112344",
"created_at": "2022-09-04T14:38:26.385718Z",
"updated_at": "2022-09-04T14:38:26.385744Z",
"structure_string": "Tb10 Si3 Sb3\n1.0\n8.742918 0.000000 0.000000\n-4.371460 7.571589 0.000000\n-0.000000 -0.000000 6.348959\nTb Si Sb\n10 3 3\ndirect\n0.757770 -0.000000 -0.000000 Tb\n0.000000 0.757770 -0.000000 Tb\n0.242230 0.242230 -0.000000 Tb\n0.244000 -0.000000 0.500000 Tb\n0.000000 0.244000 0.500000 Tb\n0.756001 0.756001 0.500000 Tb\n0.333333 0.666667 0.260102 Tb\n0.666667 0.333333 0.260102 Tb\n0.666667 0.333333 0.739898 Tb\n0.333333 0.666667 0.739898 Tb\n0.611934 -0.000000 0.500000 Si\n0.000000 0.611934 0.500000 Si\n0.388066 0.388066 0.500000 Si\n0.394323 -0.000000 -0.000000 Sb\n0.000000 0.394323 -0.000000 Sb\n0.605677 0.605677 -0.000000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"density": 8.055187111079965,
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"volume": 420.28700226424894,
"volume_molar": 15.818921795210914,
"formula_full": "Tb10 Si3 Sb3",
"formula_reduced": "Tb10(SiSb)3",
"formula_anonymous": "A3B3C10",
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"spacegroup": 189
},
{
"id": "jvasp-12184",
"created_at": "2022-09-04T14:37:04.227823Z",
"updated_at": "2022-09-04T14:37:04.227849Z",
"structure_string": "Si2 Sb6\n1.0\n6.625442 0.000000 0.000000\n-3.312721 5.737801 -0.000000\n0.000000 0.000000 5.432452\nSi Sb\n2 6\ndirect\n0.333334 0.666668 0.750000 Si\n0.666665 0.333332 0.250001 Si\n0.177496 0.354993 0.250001 Sb\n0.645005 0.822503 0.250001 Sb\n0.177496 0.822503 0.250001 Sb\n0.822503 0.645007 0.750000 Sb\n0.354994 0.177497 0.750000 Sb\n0.822502 0.177497 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.03873769282171361,
"volume": 206.51720371729948,
"volume_molar": 15.54594587683966,
"formula_full": "Si2 Sb6",
"formula_reduced": "SiSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.109021725,
"spacegroup": 194
},
{
"id": "jvasp-117310",
"created_at": "2022-09-04T14:38:26.196961Z",
"updated_at": "2022-09-04T14:38:26.196982Z",
"structure_string": "Zr10 Sb6 Se2\n1.0\n8.579612 0.000000 0.000000\n-4.289805 7.430162 0.000000\n0.000000 0.000000 6.137639\nZr Sb Se\n10 6 2\ndirect\n0.736943 0.736942 0.250000 Zr\n0.666667 0.333333 -0.000000 Zr\n0.333334 0.666666 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.736942 0.750000 Zr\n0.333334 0.666666 -0.000000 Zr\n0.263058 0.263058 0.750000 Zr\n0.000000 0.263058 0.250000 Zr\n0.263058 -0.000000 0.250000 Zr\n0.736942 -0.000000 0.750000 Zr\n0.394024 0.394023 0.250000 Sb\n0.605976 -0.000000 0.250000 Sb\n0.000000 0.605976 0.250000 Sb\n0.605977 0.605976 0.750000 Sb\n0.394023 -0.000000 0.750000 Sb\n0.000000 0.394023 0.750000 Sb\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Zr",
"density": 7.642369193198509,
"density_atomic": 0.046005021028822236,
"volume": 391.26164052230223,
"volume_molar": 13.090181517854578,
"formula_full": "Zr10 Sb6 Se2",
"formula_reduced": "Zr5Sb3Se",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.5589771296296293,
"spacegroup": 193
},
{
"id": "jvasp-16207",
"created_at": "2022-09-04T14:36:35.205901Z",
"updated_at": "2022-09-04T14:36:35.205922Z",
"structure_string": "U2 Sb2 Se2\n1.0\n4.180520 0.000000 -0.000000\n0.000000 4.180520 -0.000000\n0.000000 -0.000000 8.656710\nU Sb Se\n2 2 2\ndirect\n0.500000 0.000000 0.706846 U\n0.000000 0.500000 0.293154 U\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.366718 Se\n0.000000 0.500000 0.633282 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-U",
"density": 9.631227995427022,
"density_atomic": 0.039658635756034996,
"volume": 151.29113459448635,
"volume_molar": 15.184941804468373,
"formula_full": "U2 Sb2 Se2",
"formula_reduced": "USbSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.377911822222222,
"spacegroup": 129
},
{
"id": "jvasp-17524",
"created_at": "2022-09-04T14:38:31.577302Z",
"updated_at": "2022-09-04T14:38:31.577324Z",
"structure_string": "Tl2 Sb2 Se4\n1.0\n4.410185 0.000000 -0.000000\n0.000000 14.800399 0.000000\n-0.000000 0.000000 4.108151\nTl Sb Se\n2 2 4\ndirect\n0.500001 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.000000 Sb\n0.500001 0.213137 0.500000 Se\n0.500001 0.786863 0.500000 Se\n0.000000 0.713137 0.500000 Se\n0.000000 0.286863 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 5.99521304475448,
"density_atomic": 0.02983412859778994,
"volume": 268.1492765500993,
"volume_molar": 20.185408600960816,
"formula_full": "Tl2 Sb2 Se4",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0265188583333336,
"spacegroup": 65
},
{
"id": "jvasp-56763",
"created_at": "2022-09-04T14:37:08.851801Z",
"updated_at": "2022-09-04T14:37:08.851811Z",
"structure_string": "Tl4 Sb4 Se8\n1.0\n0.000000 9.241932 -0.000320\n4.146437 0.000000 0.000000\n0.000000 -4.312454 -12.090889\nTl Sb Se\n4 4 8\ndirect\n0.682783 0.246627 0.138784 Tl\n0.055335 0.241412 0.359360 Tl\n0.317218 0.746627 0.861216 Tl\n0.944665 0.741412 0.640640 Tl\n0.184854 0.246990 0.110255 Sb\n0.815146 0.746991 0.889745 Sb\n0.580272 0.240004 0.388891 Sb\n0.419728 0.740005 0.611109 Sb\n0.061025 0.245971 0.893471 Se\n0.345384 0.742199 0.393826 Se\n0.654616 0.242199 0.606174 Se\n0.790368 0.742180 0.388804 Se\n0.392857 0.746318 0.118559 Se\n0.209632 0.242179 0.611196 Se\n0.938975 0.745972 0.106529 Se\n0.607143 0.246318 0.881441 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 6.939206450731914,
"density_atomic": 0.034531746590538,
"volume": 463.34175301703795,
"volume_molar": 17.439432854085982,
"formula_full": "Tl4 Sb4 Se8",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8475138583333335,
"spacegroup": 11
},
{
"id": "jvasp-4960",
"created_at": "2022-09-04T14:38:15.889698Z",
"updated_at": "2022-09-04T14:38:15.889715Z",
"structure_string": "Tl2 Sb2 Se4\n1.0\n4.410185 0.000000 0.000000\n0.000000 14.800399 0.000000\n0.000000 0.000000 4.108151\nTl Sb Se\n2 2 4\ndirect\n0.500001 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.000000 Sb\n0.500001 0.213137 0.500000 Se\n0.000000 0.286863 0.500000 Se\n0.000000 0.713137 0.500000 Se\n0.500001 0.786863 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 5.99521304475448,
"density_atomic": 0.02983412859778994,
"volume": 268.1492765500993,
"volume_molar": 20.185408600960816,
"formula_full": "Tl2 Sb2 Se4",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0265188583333336,
"spacegroup": 65
},
{
"id": "jvasp-21252",
"created_at": "2022-09-04T14:38:36.248528Z",
"updated_at": "2022-09-04T14:38:36.248556Z",
"structure_string": "Tl12 Sb4 Se12\n1.0\n9.549086 -0.000000 -0.000000\n-0.000000 9.549086 -0.000000\n-0.000000 -0.000000 9.549086\nTl Sb Se\n12 4 12\ndirect\n0.692663 0.807338 0.192662 Tl\n0.807338 0.192662 0.692663 Tl\n0.192662 0.692663 0.807338 Tl\n0.307338 0.307338 0.307338 Tl\n0.447613 0.052388 0.947613 Tl\n0.052388 0.947613 0.447613 Tl\n0.947613 0.447613 0.052388 Tl\n0.552388 0.552388 0.552388 Tl\n0.910615 0.589386 0.410615 Tl\n0.589386 0.410615 0.910615 Tl\n0.410615 0.910615 0.589386 Tl\n0.089385 0.089385 0.089385 Tl\n0.198443 0.301558 0.698443 Sb\n0.301558 0.698443 0.198443 Sb\n0.698443 0.198443 0.301558 Sb\n0.801558 0.801558 0.801558 Sb\n0.893689 0.549589 0.738105 Se\n0.393689 0.950412 0.261895 Se\n0.106311 0.049589 0.761896 Se\n0.950412 0.261895 0.393689 Se\n0.761896 0.106311 0.049589 Se\n0.261895 0.393689 0.950412 Se\n0.549589 0.738105 0.893689 Se\n0.738105 0.893689 0.549589 Se\n0.049589 0.761896 0.106311 Se\n0.450411 0.238105 0.606311 Se\n0.238105 0.606311 0.450411 Se\n0.606311 0.450411 0.238105 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 7.413035089722017,
"density_atomic": 0.03215678466012752,
"volume": 870.733821678332,
"volume_molar": 18.727434423713053,
"formula_full": "Tl12 Sb4 Se12",
"formula_reduced": "Tl3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5750891428571427,
"spacegroup": 198
},
{
"id": "jvasp-35101",
"created_at": "2022-09-04T14:37:39.571930Z",
"updated_at": "2022-09-04T14:37:39.571960Z",
"structure_string": "Th2 Sb2 Se2\n1.0\n4.300948 0.000000 0.000000\n0.000000 4.300948 -0.000000\n0.000000 -0.000000 8.799839\nTh Sb Se\n2 2 2\ndirect\n0.500000 0.000000 0.713515 Th\n0.000000 0.500000 0.286485 Th\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.367763 Se\n0.000000 0.500000 0.632237 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Sb-Se-Th",
"density": 8.829195805264314,
"density_atomic": 0.03685938971670076,
"volume": 162.78077434584972,
"volume_molar": 16.3381456022084,
"formula_full": "Th2 Sb2 Se2",
"formula_reduced": "ThSbSe",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-108083",
"created_at": "2022-09-04T14:38:09.100589Z",
"updated_at": "2022-09-04T14:38:09.100621Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.109747 -0.042374 9.397080\n1.930913 3.628138 9.397080\n-0.071384 -0.042374 10.256219\nSb Te Se\n2 2 1\ndirect\n0.400287 0.400288 0.400286 Sb\n0.596788 0.596790 0.596787 Sb\n0.792105 0.792107 0.792104 Te\n0.997119 0.997122 0.997117 Te\n0.213699 0.213700 0.213699 Se\n",
"nsites": 5,
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"Te",
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],
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"density": 6.106178578413773,
"density_atomic": 0.03182754026243954,
"volume": 157.09665147767083,
"volume_molar": 18.921162962463917,
"formula_full": "Sb2 Te2 Se1",
"formula_reduced": "Sb2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.33593622,
"spacegroup": 160
},
{
"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,
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],
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"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",
"energy_above_hull": 1.5780447800000004,
"spacegroup": 8
},
{
"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,
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"elements": [
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],
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"volume": 158.17653666492538,
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"formula_full": "Sb2 Te2 Se1",
"formula_reduced": "Sb2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.33131822,
"spacegroup": 166
}
]
}