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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4618",
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"results": [
{
"id": "jvasp-32241",
"created_at": "2022-09-04T14:37:56.624755Z",
"updated_at": "2022-09-04T14:37:56.624773Z",
"structure_string": "Sb2 Cl2 F16\n1.0\n5.084033 0.220909 -0.315084\n0.065553 5.599531 -0.009087\n-0.252552 0.249718 10.296942\nSb Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.574860 0.394005 0.748997 Cl\n0.425139 0.605996 0.251002 Cl\n0.885356 0.728460 0.589060 F\n0.114643 0.271540 0.410939 F\n0.820755 0.836460 0.862209 F\n0.179244 0.163540 0.137791 F\n0.879368 0.211772 0.635942 F\n0.120631 0.788228 0.364058 F\n0.280973 0.045116 0.893127 F\n0.397634 0.455134 0.613986 F\n0.602366 0.544866 0.386013 F\n0.373801 0.527168 0.840439 F\n0.626198 0.472833 0.159561 F\n0.668280 0.041339 0.399549 F\n0.331720 0.958661 0.600451 F\n0.719026 0.954884 0.106873 F\n0.170620 0.691655 0.067414 F\n0.829379 0.308345 0.932586 F\n",
"nsites": 20,
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"elements": [
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"density": 3.5101231877576082,
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"formula_full": "Sb2 Cl2 F16",
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"spacegroup": 2
},
{
"id": "jvasp-109242",
"created_at": "2022-09-04T14:37:59.561196Z",
"updated_at": "2022-09-04T14:37:59.561206Z",
"structure_string": "Rb2 Cu1 Sb1 Br6\n1.0\n6.659849 0.000000 3.845066\n2.219950 6.278966 3.845066\n0.000000 -0.000000 7.690131\nRb Cu Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741045 0.258955 0.258956 Br\n0.258955 0.258955 0.741045 Br\n0.258955 0.741045 0.741045 Br\n0.258955 0.741045 0.258956 Br\n0.741045 0.258955 0.741045 Br\n0.741045 0.741045 0.258956 Br\n",
"nsites": 10,
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"elements": [
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"Cu",
"Sb",
"Br"
],
"chemical_system": "Br-Cu-Rb-Sb",
"density": 4.315144769590657,
"density_atomic": 0.031096660208620595,
"volume": 321.5779422263426,
"volume_molar": 19.365876333981827,
"formula_full": "Rb2 Cu1 Sb1 Br6",
"formula_reduced": "Rb2CuSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42028",
"created_at": "2022-09-04T14:37:38.647330Z",
"updated_at": "2022-09-04T14:37:38.647355Z",
"structure_string": "Pr1 Mg1 Hg2\n1.0\n0.000000 3.667473 3.667473\n3.667473 -0.000000 3.667473\n3.667473 3.667473 0.000000\nPr Mg Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Pr",
"density": 9.5331392110601,
"density_atomic": 0.04054424522176897,
"volume": 98.65765111967912,
"volume_molar": 14.853256552341982,
"formula_full": "Pr1 Mg1 Hg2",
"formula_reduced": "PrMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38934",
"created_at": "2022-09-04T14:37:59.645863Z",
"updated_at": "2022-09-04T14:37:59.645885Z",
"structure_string": "Mg2 Zn1 Pd1\n1.0\n-0.000000 3.218911 3.218911\n3.218911 -0.000000 3.218911\n3.218911 3.218911 0.000000\nMg Zn Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Pd"
],
"chemical_system": "Mg-Pd-Zn",
"density": 5.487576998068332,
"density_atomic": 0.05996572498537202,
"volume": 66.70477178381077,
"volume_molar": 10.042638126144618,
"formula_full": "Mg2 Zn1 Pd1",
"formula_reduced": "Mg2ZnPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40305",
"created_at": "2022-09-04T14:37:49.403442Z",
"updated_at": "2022-09-04T14:37:49.403455Z",
"structure_string": "Ca1 In1 Hg2\n1.0\n-0.000330 3.681941 3.681941\n3.681941 -0.000330 3.681941\n3.681941 3.681941 -0.000330\nCa In Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.750002 0.750002 0.750002 In\n-0.000011 -0.000011 -0.000011 Hg\n0.500010 0.500010 0.500010 Hg\n",
"nsites": 4,
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"elements": [
"Ca",
"In",
"Hg"
],
"chemical_system": "Ca-Hg-In",
"density": 9.248352950774155,
"density_atomic": 0.04006278514949055,
"volume": 99.84328311360213,
"volume_molar": 15.031757621266078,
"formula_full": "Ca1 In1 Hg2",
"formula_reduced": "CaInHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37912",
"created_at": "2022-09-04T14:37:59.669336Z",
"updated_at": "2022-09-04T14:37:59.669352Z",
"structure_string": "Ba2 Tl6\n1.0\n3.802894 -6.586806 -0.000000\n3.802894 6.586806 -0.000000\n-0.000000 -0.000000 5.321935\nBa Tl\n2 6\ndirect\n0.333332 0.666667 0.750001 Ba\n0.666667 0.333332 0.250000 Ba\n0.697008 0.848503 0.250000 Tl\n0.151495 0.848504 0.250000 Tl\n0.151496 0.302991 0.250000 Tl\n0.302991 0.151496 0.750001 Tl\n0.848504 0.151495 0.750001 Tl\n0.848503 0.697008 0.750001 Tl\n",
"nsites": 8,
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"elements": [
"Ba",
"Tl"
],
"chemical_system": "Ba-Tl",
"density": 9.348195103057167,
"density_atomic": 0.030005532099393176,
"volume": 266.6175015160551,
"volume_molar": 20.070101540114962,
"formula_full": "Ba2 Tl6",
"formula_reduced": "BaTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-16476",
"created_at": "2022-09-04T14:37:38.595891Z",
"updated_at": "2022-09-04T14:37:38.595917Z",
"structure_string": "Ho2 Cd6\n1.0\n4.852353 0.000000 -0.000000\n0.000000 5.928345 -2.606878\n-0.000000 -0.042848 6.476052\nHo Cd\n2 6\ndirect\n0.750000 0.362872 0.637127 Ho\n0.250000 0.637127 0.362872 Ho\n0.750000 0.824350 0.175648 Cd\n0.250000 0.175648 0.824351 Cd\n0.750000 0.312919 0.125568 Cd\n0.250000 0.687080 0.874430 Cd\n0.250000 0.125569 0.312919 Cd\n0.750000 0.874430 0.687080 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 8.97828289905995,
"density_atomic": 0.043068445078724434,
"volume": 185.7508434626992,
"volume_molar": 13.982721570263756,
"formula_full": "Ho2 Cd6",
"formula_reduced": "HoCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-39920",
"created_at": "2022-09-04T14:37:38.573013Z",
"updated_at": "2022-09-04T14:37:38.573040Z",
"structure_string": "Dy2 Tl1 Cd1\n1.0\n-0.000000 3.738406 3.738406\n3.738406 -0.000000 3.738406\n3.738406 3.738406 0.000000\nDy Tl Cd\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Dy\n0.000000 0.000000 0.000000 Dy\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Tl",
"Cd"
],
"chemical_system": "Cd-Dy-Tl",
"density": 10.198952340204409,
"density_atomic": 0.03827988289610402,
"volume": 104.49352760185964,
"volume_molar": 15.731868293183602,
"formula_full": "Dy2 Tl1 Cd1",
"formula_reduced": "Dy2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38085",
"created_at": "2022-09-04T14:37:59.593991Z",
"updated_at": "2022-09-04T14:37:59.594018Z",
"structure_string": "Rb2 Na1 Tl1 F6\n1.0\n-0.000000 4.429275 4.429275\n4.429275 -0.000000 4.429275\n4.429275 4.429275 -0.000000\nRb Na Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Rb\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.500001 Tl\n0.253152 0.746849 0.746849 F\n0.253152 0.746849 0.253152 F\n0.746849 0.253152 0.746849 F\n0.746849 0.746849 0.253152 F\n0.253152 0.253152 0.746849 F\n0.746849 0.253152 0.253152 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Tl",
"F"
],
"chemical_system": "F-Na-Rb-Tl",
"density": 4.894910433882805,
"density_atomic": 0.0575402929918987,
"volume": 173.7912596553503,
"volume_molar": 10.465954285022287,
"formula_full": "Rb2 Na1 Tl1 F6",
"formula_reduced": "Rb2NaTlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16493",
"created_at": "2022-09-04T14:37:56.688534Z",
"updated_at": "2022-09-04T14:37:56.688561Z",
"structure_string": "Pr1 O1\n1.0\n3.119389 -0.000000 1.800981\n1.039797 2.940989 1.800981\n-0.000000 -0.000000 3.601961\nPr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.499999 O\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.884780578745662,
"density_atomic": 0.060524059974781046,
"volume": 33.04470983660635,
"volume_molar": 9.949994700470004,
"formula_full": "Pr1 O1",
"formula_reduced": "PrO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38247",
"created_at": "2022-09-04T14:37:59.597997Z",
"updated_at": "2022-09-04T14:37:59.598011Z",
"structure_string": "Rb3 Dy1\n1.0\n0.000000 5.007949 5.007949\n5.007949 -0.000000 5.007949\n5.007949 5.007949 -0.000000\nRb Dy\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250001 0.250001 0.250001 Rb\n0.750001 0.750001 0.750001 Dy\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Dy-Rb",
"density": 2.7691934438774197,
"density_atomic": 0.0159239315951716,
"volume": 251.1942466025706,
"volume_molar": 37.8181777785708,
"formula_full": "Rb3 Dy1",
"formula_reduced": "Rb3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39781",
"created_at": "2022-09-04T14:37:47.926913Z",
"updated_at": "2022-09-04T14:37:47.926934Z",
"structure_string": "Na1 Yb1 Au2\n1.0\n-0.000000 3.505366 3.505366\n3.505366 -0.000000 3.505366\n3.505366 3.505366 -0.000000\nYb Na Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250001 0.250001 0.250001 Na\n0.000000 0.000000 0.000000 Au\n0.500001 0.500001 0.500001 Au\n",
"nsites": 4,
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"formula_full": "Na1 Yb1 Au2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}