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"results": [
{
"id": "jvasp-17376",
"created_at": "2022-09-04T14:38:27.564596Z",
"updated_at": "2022-09-04T14:38:27.564611Z",
"structure_string": "Cd1 Sb1 Au1\n1.0\n4.084425 -0.000000 2.358144\n1.361475 3.850832 2.358144\n-0.000000 -0.000000 4.716287\nCd Sb Au\n1 1 1\ndirect\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sb\n0.249999 0.250000 0.250000 Au\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Au-Cd-Sb",
"density": 9.65115394019464,
"density_atomic": 0.0404422706741889,
"volume": 74.1798111230847,
"volume_molar": 14.89070880444766,
"formula_full": "Cd1 Sb1 Au1",
"formula_reduced": "CdSbAu",
"formula_anonymous": "ABC",
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{
"id": "jvasp-117775",
"created_at": "2022-09-04T14:38:53.693334Z",
"updated_at": "2022-09-04T14:38:53.693364Z",
"structure_string": "Cd1 Sb1 Br1\n1.0\n3.348271 0.000000 0.000000\n0.000000 3.348271 0.000000\n0.000000 0.000000 8.456303\nCd Sb Br\n1 1 1\ndirect\n0.000000 -0.000000 0.639917 Cd\n0.000000 0.000000 -0.006953 Sb\n0.000000 -0.000000 0.315398 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-Cd-Sb",
"density": 5.501241712082692,
"density_atomic": 0.03164459312876936,
"volume": 94.802925346276,
"volume_molar": 19.03055202983486,
"formula_full": "Cd1 Sb1 Br1",
"formula_reduced": "CdSbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-117774",
"created_at": "2022-09-04T14:38:51.464673Z",
"updated_at": "2022-09-04T14:38:51.464694Z",
"structure_string": "Cd1 Sb1 Br1\n1.0\n5.485917 -0.000000 0.000000\n-2.742959 4.750944 -0.000000\n0.000000 -0.000000 3.335609\nCd Sb Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Sb",
"Br"
],
"chemical_system": "Br-Cd-Sb",
"density": 5.9989906491940985,
"density_atomic": 0.03450777628259678,
"volume": 86.93692619981955,
"volume_molar": 17.45154689390151,
"formula_full": "Cd1 Sb1 Br1",
"formula_reduced": "CdSbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0144166666666666,
"spacegroup": 187
},
{
"id": "jvasp-117773",
"created_at": "2022-09-04T14:38:51.686576Z",
"updated_at": "2022-09-04T14:38:51.686591Z",
"structure_string": "Cd1 S1 Br1\n1.0\n3.457774 0.000000 -0.000000\n-0.000000 3.457774 -0.000000\n-0.000000 0.000000 8.300729\nCd S Br\n1 1 1\ndirect\n0.000000 0.000000 0.657688 Cd\n0.000000 0.000000 -0.062132 S\n0.000000 0.000000 0.364672 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"S",
"Br"
],
"chemical_system": "Br-Cd-S",
"density": 3.75425525211956,
"density_atomic": 0.030228166839798128,
"volume": 99.24518466168539,
"volume_molar": 19.92228239282874,
"formula_full": "Cd1 S1 Br1",
"formula_reduced": "CdSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0147279516666665,
"spacegroup": 99
},
{
"id": "jvasp-117772",
"created_at": "2022-09-04T14:38:53.986260Z",
"updated_at": "2022-09-04T14:38:53.986285Z",
"structure_string": "Cd1 S1 Br1\n1.0\n5.001663 -0.000000 -0.000000\n-2.500831 4.331567 0.000000\n0.000000 0.000000 3.913254\nCd S Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333334 0.000000 S\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"S",
"Br"
],
"chemical_system": "Br-Cd-S",
"density": 4.3947658412863575,
"density_atomic": 0.03538537103923565,
"volume": 84.78079816299143,
"volume_molar": 17.018730009422793,
"formula_full": "Cd1 S1 Br1",
"formula_reduced": "CdSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0563612849999998,
"spacegroup": 187
},
{
"id": "jvasp-29474",
"created_at": "2022-09-04T14:38:06.330243Z",
"updated_at": "2022-09-04T14:38:06.330265Z",
"structure_string": "Cd2 Sb2 S4 Br2\n1.0\n3.980238 0.000000 -0.000000\n-1.990120 6.522275 -0.144115\n-0.000000 -0.028201 9.662690\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.283842 0.567684 0.689244 Sb\n0.716158 0.432317 0.310756 Sb\n0.915266 0.830532 0.741328 S\n0.353781 0.707562 0.447565 S\n0.646220 0.292439 0.552434 S\n0.084735 0.169469 0.258672 S\n0.362853 0.725707 0.075578 Br\n0.637147 0.274294 0.924422 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Cd-S-Sb",
"density": 5.007583183393937,
"density_atomic": 0.03986775797283032,
"volume": 250.82925422630865,
"volume_molar": 15.105290756766555,
"formula_full": "Cd2 Sb2 S4 Br2",
"formula_reduced": "CdSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6117079910000002,
"spacegroup": 12
},
{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Sb",
"S",
"Cl"
],
"chemical_system": "Cd-Cl-S-Sb",
"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
"volume_molar": 14.358303836684282,
"formula_full": "Cd4 Sb4 S8 Cl4",
"formula_reduced": "CdSbS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6360759835000003,
"spacegroup": 62
},
{
"id": "jvasp-19612",
"created_at": "2022-09-04T14:38:32.519526Z",
"updated_at": "2022-09-04T14:38:32.519548Z",
"structure_string": "Cd1 Se1\n1.0\n3.506152 0.000000 2.024278\n1.168717 3.305633 2.024278\n-0.000000 0.000000 4.048556\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500001 Se\n",
"nsites": 2,
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"elements": [
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"Se"
],
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"density": 6.7723547238820165,
"density_atomic": 0.04262304470161367,
"volume": 46.92297356984171,
"volume_molar": 14.128837585767322,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3104011222222221,
"spacegroup": 225
},
{
"id": "jvasp-1192",
"created_at": "2022-09-04T14:35:56.740946Z",
"updated_at": "2022-09-04T14:35:56.740975Z",
"structure_string": "Cd1 Se1\n1.0\n3.777046 -0.000000 2.180679\n1.259016 3.561033 2.180679\n0.000000 0.000000 4.361357\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.250000 0.250000 Se\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Cd-Se",
"density": 5.417205540397751,
"density_atomic": 0.03409416714277606,
"volume": 58.66106045719212,
"volume_molar": 17.663258160204045,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2679211222222222,
"spacegroup": 216
},
{
"id": "jvasp-78441",
"created_at": "2022-09-04T14:37:14.646638Z",
"updated_at": "2022-09-04T14:37:14.646672Z",
"structure_string": "Cd1 Se1\n1.0\n-3.083946 -3.083946 0.000000\n-3.083946 -0.000000 -3.083946\n-0.000000 -3.083946 -3.083946\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.750001 0.750001 Se\n",
"nsites": 2,
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"elements": [
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"density": 5.417200791648542,
"density_atomic": 0.03409413725566028,
"volume": 58.66111187981335,
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"formula_full": "Cd1 Se1",
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"formula_anonymous": "AB",
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"spacegroup": 216
},
{
"id": "jvasp-7671",
"created_at": "2022-09-04T14:36:47.966757Z",
"updated_at": "2022-09-04T14:36:47.966781Z",
"structure_string": "Cd2 Se2\n1.0\n2.178876 -3.773924 -0.000000\n2.178876 3.773924 -0.000000\n-0.000000 -0.000000 7.136169\nCd Se\n2 2\ndirect\n0.666668 0.333334 0.499463 Cd\n0.333334 0.666668 -0.000537 Cd\n0.666668 0.333334 0.124677 Se\n0.333334 0.666668 0.624678 Se\n",
"nsites": 4,
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"elements": [
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"volume": 117.36018553714047,
"volume_molar": 17.668988923109406,
"formula_full": "Cd2 Se2",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
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"spacegroup": 186
},
{
"id": "jvasp-123651",
"created_at": "2022-09-04T14:38:55.032890Z",
"updated_at": "2022-09-04T14:38:55.032920Z",
"structure_string": "Cd1 Se2\n1.0\n2.348027 -3.708797 -0.775432\n2.037901 3.529746 -0.000000\n-0.922855 0.532810 5.345610\nCd Se\n1 2\ndirect\n-0.000000 0.333364 0.166667 Cd\n0.789798 0.728218 0.434269 Se\n0.210204 -0.061579 0.899065 Se\n",
"nsites": 3,
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"volume": 81.33916969700795,
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"formula_full": "Cd1 Se2",
"formula_reduced": "CdSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
}
]
}