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{
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"results": [
{
"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",
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"density_atomic": 0.02983412859778994,
"volume": 268.1492765500993,
"volume_molar": 20.185408600960816,
"formula_full": "Tl2 Sb2 Se4",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
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"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,
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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-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",
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],
"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-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-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": [
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"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-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,
"nelements": 2,
"elements": [
"Si",
"Sb"
],
"chemical_system": "Sb-Si",
"density": 6.325853424751997,
"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-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,
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"density": 8.055187111079965,
"density_atomic": 0.0380692239203254,
"volume": 420.28700226424894,
"volume_molar": 15.818921795210914,
"formula_full": "Tb10 Si3 Sb3",
"formula_reduced": "Tb10(SiSb)3",
"formula_anonymous": "A3B3C10",
"energy_above_hull": 2.17523238125,
"spacegroup": 189
},
{
"id": "jvasp-21720",
"created_at": "2022-09-04T14:38:28.754649Z",
"updated_at": "2022-09-04T14:38:28.754681Z",
"structure_string": "Tm10 Si4 Sb4\n1.0\n6.855268 -0.000000 -3.584997\n0.000000 7.758515 0.000000\n0.018324 -0.000000 8.381896\nTm Si Sb\n10 4 4\ndirect\n0.538919 0.835719 0.749018 Tm\n0.038919 0.664280 0.749018 Tm\n0.789902 0.835719 0.250982 Tm\n0.461080 0.164280 0.250982 Tm\n0.710098 0.335720 0.749018 Tm\n0.961081 0.335720 0.250982 Tm\n0.210098 0.164280 0.749018 Tm\n0.289902 0.664280 0.250982 Tm\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 -0.000000 Tm\n0.364372 0.865366 -0.000000 Si\n0.864372 0.634633 -0.000000 Si\n0.135628 0.365366 -0.000000 Si\n0.635628 0.134634 -0.000000 Si\n0.794547 0.000000 0.589095 Sb\n0.705453 0.500000 0.410905 Sb\n0.205453 0.000000 0.410905 Sb\n0.294547 0.500000 0.589095 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Sb-Si-Tm",
"density": 8.51532063427269,
"density_atomic": 0.04033025522338812,
"volume": 446.31505306124444,
"volume_molar": 14.932067071342685,
"formula_full": "Tm10 Si4 Sb4",
"formula_reduced": "Tm5(SiSb)2",
"formula_anonymous": "A2B2C5",
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"spacegroup": 64
},
{
"id": "jvasp-58426",
"created_at": "2022-09-04T14:37:36.196802Z",
"updated_at": "2022-09-04T14:37:36.196819Z",
"structure_string": "V8 Si2 Sb4\n1.0\n4.457389 -0.000000 1.502812\n2.228694 6.985225 0.751406\n-0.002955 0.000000 7.370553\nV Si Sb\n8 2 4\ndirect\n0.205720 0.709131 0.879426 V\n0.914852 0.879425 0.290869 V\n0.294278 0.120574 0.290869 V\n0.705720 0.879425 0.709131 V\n0.414852 0.290869 0.879426 V\n0.585147 0.709131 0.120574 V\n0.085147 0.120574 0.709131 V\n0.794278 0.290869 0.120574 V\n0.250000 0.000000 -0.000000 Si\n0.750000 0.000000 -0.000000 Si\n0.141479 0.500000 0.217042 Sb\n0.358520 0.782958 0.500000 Sb\n0.641479 0.217042 0.500000 Sb\n0.858520 0.500000 0.782958 Sb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "V8 Si2 Sb4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 140
},
{
"id": "jvasp-26251",
"created_at": "2022-09-04T14:38:35.139526Z",
"updated_at": "2022-09-04T14:38:35.139550Z",
"structure_string": "Zr10 Si2 Sb6\n1.0\n4.336119 -7.510378 0.000000\n4.336119 7.510378 0.000000\n-0.000000 0.000000 5.864899\nZr Si Sb\n10 2 6\ndirect\n0.260844 -0.000000 0.250000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.739156 -0.000000 0.750000 Zr\n0.666667 0.333333 0.000000 Zr\n-0.000000 0.260844 0.250000 Zr\n-0.000000 0.739156 0.750000 Zr\n0.260844 0.260844 0.750000 Zr\n0.739156 0.739156 0.250000 Zr\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.394065 0.394065 0.250000 Sb\n0.605935 -0.000000 0.250000 Sb\n0.605935 0.605935 0.750000 Sb\n-0.000000 0.394065 0.750000 Sb\n-0.000000 0.605935 0.250000 Sb\n0.394065 -0.000000 0.750000 Sb\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.04712148665993112,
"volume": 381.9913435648448,
"volume_molar": 12.780031333605642,
"formula_full": "Zr10 Si2 Sb6",
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"formula_anonymous": "AB3C5",
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"spacegroup": 193
},
{
"id": "jvasp-93777",
"created_at": "2022-09-04T14:36:10.230842Z",
"updated_at": "2022-09-04T14:36:10.230867Z",
"structure_string": "Sm4 Sb2\n1.0\n4.493711 -0.000000 0.000000\n-0.000000 4.493711 0.000000\n-2.246855 -2.246855 8.731531\nSm Sb\n4 2\ndirect\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.821505 0.821505 0.643010 Sm\n0.178494 0.178494 0.356990 Sm\n0.639384 0.639384 0.278769 Sb\n0.360615 0.360615 0.721230 Sb\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Sb-Sm",
"density": 7.957645171103112,
"density_atomic": 0.03402910861229743,
"volume": 176.31963470920073,
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"formula_full": "Sm4 Sb2",
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"formula_anonymous": "AB2",
"energy_above_hull": 1.0973046166666665,
"spacegroup": 139
}
]
}