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{
"id": "jvasp-34910",
"created_at": "2022-09-04T14:37:12.603251Z",
"updated_at": "2022-09-04T14:37:12.603271Z",
"structure_string": "Pr1 Zr3 F15\n1.0\n6.889556 0.000144 -2.883584\n-4.332921 5.356471 -2.883584\n0.000069 0.000144 7.468671\nPr Zr F\n1 3 15\ndirect\n0.506232 0.506231 0.506233 Pr\n0.143519 0.143518 0.710794 Zr\n0.710794 0.143518 0.143519 Zr\n0.143519 0.710794 0.143519 Zr\n0.853197 0.066039 0.396787 F\n0.066040 0.396786 0.853196 F\n0.084230 0.325882 0.325883 F\n0.325883 0.325882 0.084231 F\n0.325883 0.084230 0.325883 F\n0.066040 0.853196 0.396787 F\n0.866035 0.645602 0.866036 F\n0.748620 0.407214 0.407215 F\n0.407215 0.407214 0.748621 F\n0.407215 0.748620 0.407215 F\n0.396787 0.853196 0.066041 F\n0.396787 0.066039 0.853196 F\n0.853197 0.396786 0.066041 F\n0.866036 0.866034 0.645604 F\n0.645603 0.866034 0.866036 F\n",
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{
"id": "jvasp-23767",
"created_at": "2022-09-04T14:37:41.113089Z",
"updated_at": "2022-09-04T14:37:41.113115Z",
"structure_string": "Pr4 Zn4 Sn4\n1.0\n2.292926 -3.971465 -0.000000\n2.292926 3.971465 0.000000\n-0.000000 0.000000 16.732462\nPr Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Pr\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.842798 Zn\n0.666668 0.333334 0.657201 Zn\n0.333334 0.666668 0.157201 Zn\n0.333334 0.666668 0.342799 Zn\n0.666668 0.333334 0.115260 Sn\n0.666668 0.333334 0.384740 Sn\n0.333334 0.666668 0.884740 Sn\n0.333334 0.666668 0.615260 Sn\n",
"nsites": 12,
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"elements": [
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"Zn",
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"chemical_system": "Pr-Sn-Zn",
"density": 7.084308073784809,
"density_atomic": 0.039377725262479166,
"volume": 304.74081273135727,
"volume_molar": 15.293267246541948,
"formula_full": "Pr4 Zn4 Sn4",
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"formula_anonymous": "ABC",
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"spacegroup": 194
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{
"id": "jvasp-42858",
"created_at": "2022-09-04T14:37:06.693990Z",
"updated_at": "2022-09-04T14:37:06.694001Z",
"structure_string": "Pr2 Zn1 Ru1\n1.0\n0.000000 3.614974 3.614974\n3.614974 0.000000 3.614974\n3.614974 3.614974 -0.000000\nPr Zn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499998 0.499998 0.499998 Pr\n0.749999 0.749999 0.749999 Zn\n0.250001 0.250001 0.250001 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
],
"chemical_system": "Pr-Ru-Zn",
"density": 7.87892169994149,
"density_atomic": 0.04233645221941313,
"volume": 94.48122812156242,
"volume_molar": 14.224481373142984,
"formula_full": "Pr2 Zn1 Ru1",
"formula_reduced": "Pr2ZnRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.51306515,
"spacegroup": 225
},
{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
"nsites": 16,
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"elements": [
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"Zn",
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],
"chemical_system": "Pb-Pr-Zn",
"density": 7.826812310032864,
"density_atomic": 0.046206551598608314,
"volume": 346.2712417708726,
"volume_molar": 13.033088494276166,
"formula_full": "Pr4 Zn10 Pb2",
"formula_reduced": "Pr2Zn5Pb",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-10667",
"created_at": "2022-09-04T14:37:19.183901Z",
"updated_at": "2022-09-04T14:37:19.183924Z",
"structure_string": "Pr2 Zn6 P6\n1.0\n2.032517 -3.520423 0.000000\n2.032517 3.520423 0.000000\n0.000000 0.000000 20.210043\nPr Zn P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666668 0.750000 Zn\n0.666668 0.333334 0.250000 Zn\n0.666668 0.333334 0.629607 Zn\n0.333334 0.666668 0.129607 Zn\n0.333334 0.666668 0.370393 Zn\n0.666668 0.333334 0.870392 Zn\n0.666668 0.333334 0.750000 P\n0.333334 0.666668 0.250000 P\n0.666668 0.333334 0.088234 P\n0.333334 0.666668 0.588234 P\n0.333334 0.666668 0.911766 P\n0.666668 0.333334 0.411766 P\n",
"nsites": 14,
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"elements": [
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"Zn",
"P"
],
"chemical_system": "P-Pr-Zn",
"density": 4.938303415779964,
"density_atomic": 0.0484062864022067,
"volume": 289.2186333748953,
"volume_molar": 12.440823718560381,
"formula_full": "Pr2 Zn6 P6",
"formula_reduced": "Pr(ZnP)3",
"formula_anonymous": "AB3C3",
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"spacegroup": 194
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{
"id": "jvasp-16811",
"created_at": "2022-09-04T14:37:51.199021Z",
"updated_at": "2022-09-04T14:37:51.199039Z",
"structure_string": "Pr3 Zn3 Ni3\n1.0\n3.618180 -6.266871 0.000000\n3.618180 6.266871 0.000000\n-0.000000 0.000000 3.879106\nPr Zn Ni\n3 3 3\ndirect\n0.000000 0.412861 0.500001 Pr\n0.587139 0.587139 0.500001 Pr\n0.412861 0.000000 0.500001 Pr\n0.000000 0.765704 0.000000 Zn\n0.234296 0.234296 0.000000 Zn\n0.765704 0.000000 0.000000 Zn\n0.000000 0.000000 0.500001 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 9,
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"elements": [
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"Zn",
"Ni"
],
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"density": 7.504644591672198,
"density_atomic": 0.05116110815469919,
"volume": 175.914876057534,
"volume_molar": 11.770934948849153,
"formula_full": "Pr3 Zn3 Ni3",
"formula_reduced": "PrZnNi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1988242166666667,
"spacegroup": 189
},
{
"id": "jvasp-42860",
"created_at": "2022-09-04T14:37:08.251048Z",
"updated_at": "2022-09-04T14:37:08.251074Z",
"structure_string": "Pr2 Zn1 Ir1\n1.0\n0.000000 3.625590 3.625590\n3.625590 -0.000000 3.625590\n3.625590 3.625590 0.000000\nPr Zn Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-Pr-Zn",
"density": 9.397822197222105,
"density_atomic": 0.04196564714543142,
"volume": 95.31605663408575,
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"formula_full": "Pr2 Zn1 Ir1",
"formula_reduced": "Pr2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4738503,
"spacegroup": 225
},
{
"id": "jvasp-35044",
"created_at": "2022-09-04T14:37:33.126262Z",
"updated_at": "2022-09-04T14:37:33.126289Z",
"structure_string": "Pr2 Zn2 In2\n1.0\n4.741128 0.000000 0.000000\n-2.370564 4.105836 -0.000000\n0.000000 -0.000000 7.713854\nPr Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333313 0.666625 0.750000 Zn\n0.666689 0.333376 0.250000 Zn\n0.333355 0.666708 0.250000 In\n0.666647 0.333293 0.750000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
"In"
],
"chemical_system": "In-Pr-Zn",
"density": 7.102505317319198,
"density_atomic": 0.03995733887731443,
"volume": 150.16015001455636,
"volume_molar": 15.071425998839574,
"formula_full": "Pr2 Zn2 In2",
"formula_reduced": "PrZnIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-111295",
"created_at": "2022-09-04T14:38:49.756818Z",
"updated_at": "2022-09-04T14:38:49.756840Z",
"structure_string": "Pr2 Zn1 In1\n1.0\n4.671371 -0.000000 2.697018\n1.557124 4.404211 2.697018\n-0.000000 -0.000000 5.394035\nPr Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pr\n0.749999 0.750000 0.750002 Pr\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.913605537803352,
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"volume": 110.97527699208172,
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"formula_full": "Pr2 Zn1 In1",
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},
{
"id": "jvasp-38399",
"created_at": "2022-09-04T14:38:05.505497Z",
"updated_at": "2022-09-04T14:38:05.505518Z",
"structure_string": "Pr2 Zn1 Hg1\n1.0\n0.000000 3.783938 3.783938\n3.783938 0.000000 3.783938\n3.783938 3.783938 -0.000000\nPr Zn Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Zn\n0.250001 0.250001 0.250001 Hg\n",
"nsites": 4,
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"elements": [
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"formula_full": "Pr2 Zn1 Hg1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-21712",
"created_at": "2022-09-04T14:38:32.538254Z",
"updated_at": "2022-09-04T14:38:32.538274Z",
"structure_string": "Pr2 Zn6 Ge3\n1.0\n3.849539 -6.667597 -0.000000\n3.849539 6.667597 0.000000\n-0.000000 0.000000 4.127499\nPr Zn Ge\n2 6 3\ndirect\n0.666667 0.333333 0.000000 Pr\n0.333333 0.666667 0.000000 Pr\n-0.000000 0.287852 0.500000 Zn\n0.287852 -0.000000 0.500000 Zn\n-0.000000 0.811362 0.000000 Zn\n0.188639 0.188639 0.000000 Zn\n0.712149 0.712149 0.500000 Zn\n0.811362 -0.000000 0.000000 Zn\n-0.000000 0.617598 0.500000 Ge\n0.382403 0.382403 0.500000 Ge\n0.617598 -0.000000 0.500000 Ge\n",
"nsites": 11,
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"density": 6.992155356241744,
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"formula_full": "Pr2 Zn6 Ge3",
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"formula_anonymous": "A2B3C6",
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},
{
"id": "jvasp-35040",
"created_at": "2022-09-04T14:37:31.471208Z",
"updated_at": "2022-09-04T14:37:31.471224Z",
"structure_string": "Pr2 Zn2 Ga2\n1.0\n2.240686 -3.880983 -0.000000\n2.240686 3.880983 0.000000\n-0.000000 0.000000 7.767511\nPr Zn Ga\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.750000 Zn\n0.333334 0.666668 0.250000 Zn\n0.666668 0.333334 0.250000 Ga\n0.333334 0.666668 0.750000 Ga\n",
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"formula_full": "Pr2 Zn2 Ga2",
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}
]
}