HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1532",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1530",
"results": [
{
"id": "jvasp-16064",
"created_at": "2022-09-04T14:36:40.998215Z",
"updated_at": "2022-09-04T14:36:40.998247Z",
"structure_string": "Ba1 Np1 O3\n1.0\n4.420856 0.000000 0.000000\n-0.000000 4.420856 0.000000\n0.000000 -0.000000 4.420856\nBa Np O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Np\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Np",
"O"
],
"chemical_system": "Ba-Np-O",
"density": 8.116653141008307,
"density_atomic": 0.05786965557837883,
"volume": 86.40106719190656,
"volume_molar": 10.406387768877586,
"formula_full": "Ba1 Np1 O3",
"formula_reduced": "BaNpO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3493352940000003,
"spacegroup": 221
},
{
"id": "jvasp-109099",
"created_at": "2022-09-04T14:37:50.844246Z",
"updated_at": "2022-09-04T14:37:50.844271Z",
"structure_string": "Ba2 Pr1 Ta1 O6\n1.0\n5.327863 -0.000000 3.076043\n1.775954 5.023157 3.076043\n-0.000000 -0.000000 6.152086\nBa Pr Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750000 Ba\n0.499999 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ta\n0.769480 0.230519 0.230519 O\n0.230518 0.769481 0.769481 O\n0.230518 0.769481 0.230519 O\n0.769480 0.230519 0.769481 O\n0.230519 0.230519 0.769481 O\n0.769480 0.769481 0.230519 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Pr-Ta",
"density": 6.984259947486129,
"density_atomic": 0.060736225786148554,
"volume": 164.64638476565645,
"volume_molar": 9.91523704683903,
"formula_full": "Ba2 Pr1 Ta1 O6",
"formula_reduced": "Ba2PrTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.349323199,
"spacegroup": 225
},
{
"id": "jvasp-65149",
"created_at": "2022-09-04T14:35:47.087222Z",
"updated_at": "2022-09-04T14:35:47.087251Z",
"structure_string": "Be1 Bi4 Mo1\n1.0\n-0.000000 4.453616 4.453616\n4.453616 -0.000000 4.453616\n4.453616 4.453616 0.000000\nBe Bi Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125494 0.624836 0.624836 Bi\n0.624836 0.624836 0.624836 Bi\n0.624836 0.125494 0.624836 Bi\n0.624836 0.624836 0.125494 Bi\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Mo"
],
"chemical_system": "Be-Bi-Mo",
"density": 8.843255299226172,
"density_atomic": 0.033961193876880603,
"volume": 176.6722342492369,
"volume_molar": 17.732417717209962,
"formula_full": "Be1 Bi4 Mo1",
"formula_reduced": "BeBi4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3492548666666675,
"spacegroup": 216
},
{
"id": "jvasp-70572",
"created_at": "2022-09-04T14:36:07.961255Z",
"updated_at": "2022-09-04T14:36:07.961277Z",
"structure_string": "Na1 Be2 Mo1\n1.0\n2.699622 0.000000 -0.000000\n-0.000000 2.699622 0.000000\n-0.000000 0.000000 7.657683\nNa Be Mo\n1 2 1\ndirect\n0.500000 0.500000 0.777205 Na\n0.000000 0.000000 0.084423 Be\n0.500000 0.500000 0.211272 Be\n0.000000 0.000000 0.427100 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Mo"
],
"chemical_system": "Be-Mo-Na",
"density": 4.074937384330859,
"density_atomic": 0.07167318265578994,
"volume": 55.80887930162078,
"volume_molar": 8.402223170305271,
"formula_full": "Na1 Be2 Mo1",
"formula_reduced": "NaBe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.349244275,
"spacegroup": 99
},
{
"id": "jvasp-67767",
"created_at": "2022-09-04T14:35:51.996651Z",
"updated_at": "2022-09-04T14:35:51.996673Z",
"structure_string": "Na1 Be2 Mo1\n1.0\n4.648946 -0.000000 -0.000000\n0.000000 4.648946 0.000000\n0.000000 0.000000 2.480597\nNa Be Mo\n1 2 1\ndirect\n0.000000 0.000000 0.500001 Na\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500001 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Mo"
],
"chemical_system": "Be-Mo-Na",
"density": 4.241886303739691,
"density_atomic": 0.07460961069539301,
"volume": 53.61239608032148,
"volume_molar": 8.071534891914206,
"formula_full": "Na1 Be2 Mo1",
"formula_reduced": "NaBe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.349234275,
"spacegroup": 123
},
{
"id": "jvasp-106285",
"created_at": "2022-09-04T14:38:38.340029Z",
"updated_at": "2022-09-04T14:38:38.340053Z",
"structure_string": "Ba2 Pr1 Ta1 O6\n1.0\n5.284748 -0.001873 3.059635\n1.751894 4.985925 3.059635\n-0.008856 -0.006273 6.179635\nBa Pr Ta O\n2 1 1 6\ndirect\n0.751647 0.751648 0.743036 Ba\n0.248352 0.248352 0.256962 Ba\n0.000000 0.000000 0.000000 Pr\n0.499999 0.500000 0.499999 Ta\n0.696200 0.232211 0.308648 O\n0.303799 0.767789 0.691351 O\n0.767788 0.303800 0.691350 O\n0.232210 0.696200 0.308648 O\n0.728353 0.728354 0.205687 O\n0.271645 0.271647 0.794311 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Pr-Ta",
"density": 7.052526880066364,
"density_atomic": 0.06132988579624215,
"volume": 163.05264342450036,
"volume_molar": 9.819259699924295,
"formula_full": "Ba2 Pr1 Ta1 O6",
"formula_reduced": "Ba2PrTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.349223199,
"spacegroup": 12
},
{
"id": "jvasp-17224",
"created_at": "2022-09-04T14:37:44.332783Z",
"updated_at": "2022-09-04T14:37:44.332804Z",
"structure_string": "Lu1 Mn2 Ge2\n1.0\n3.671194 -0.000000 -1.270761\n-0.439865 3.644747 -1.270761\n0.033814 0.038141 6.036060\nLu Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.249998 0.750000 0.500000 Mn\n0.749998 0.250000 0.500000 Mn\n0.617541 0.617543 0.235085 Ge\n0.382456 0.382457 0.764914 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"Ge"
],
"chemical_system": "Ge-Lu-Mn",
"density": 8.804490191476644,
"density_atomic": 0.06163570441130575,
"volume": 81.12181158236032,
"volume_molar": 9.770539361103443,
"formula_full": "Lu1 Mn2 Ge2",
"formula_reduced": "Lu(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.349162426551724,
"spacegroup": 139
},
{
"id": "jvasp-9695",
"created_at": "2022-09-04T14:37:07.587354Z",
"updated_at": "2022-09-04T14:37:07.587371Z",
"structure_string": "Li5 Re1 O6\n1.0\n4.950251 0.005627 -0.859568\n-1.314149 4.173728 -2.510683\n0.002548 -0.000476 5.044851\nLi Re O\n5 1 6\ndirect\n0.000000 0.333695 0.666305 Li\n0.000000 0.666305 0.333696 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.178185 0.821814 Li\n0.500000 0.821815 0.178186 Li\n0.000000 0.000000 0.000000 Re\n0.235703 0.386941 0.077751 O\n0.235703 0.077751 0.386941 O\n0.764297 0.922250 0.613059 O\n0.764297 0.613059 0.922249 O\n0.771065 0.230877 0.230877 O\n0.228935 0.769123 0.769123 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Re",
"O"
],
"chemical_system": "Li-O-Re",
"density": 5.04680690049055,
"density_atomic": 0.11508403647412224,
"volume": 104.27162939056552,
"volume_molar": 5.2328202455378205,
"formula_full": "Li5 Re1 O6",
"formula_reduced": "Li5ReO6",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.3489107500000004,
"spacegroup": 12
},
{
"id": "jvasp-8678",
"created_at": "2022-09-04T14:37:11.970437Z",
"updated_at": "2022-09-04T14:37:11.970457Z",
"structure_string": "Ba1 P4 Pd2\n1.0\n5.507596 0.023086 -1.582196\n-3.119035 4.539357 -1.582196\n-0.012086 -0.023086 5.730341\nBa P Pd\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.272342 0.772341 P\n0.272342 0.500000 0.772341 P\n0.727659 0.500001 0.227658 P\n0.500001 0.727659 0.227657 P\n0.750001 0.250000 0.500000 Pd\n0.250001 0.750000 0.499999 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"P",
"Pd"
],
"chemical_system": "Ba-P-Pd",
"density": 5.494315409601542,
"density_atomic": 0.04885706132612481,
"volume": 143.275092893419,
"volume_molar": 12.32603966866064,
"formula_full": "Ba1 P4 Pd2",
"formula_reduced": "Ba(P2Pd)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.348854195714285,
"spacegroup": 139
},
{
"id": "jvasp-103744",
"created_at": "2022-09-04T14:36:50.988994Z",
"updated_at": "2022-09-04T14:36:50.989017Z",
"structure_string": "Co1 H4 Cl2 O2\n1.0\n3.531260 0.081773 -0.356808\n-0.661240 5.403090 -0.789693\n0.100765 -0.062569 5.499106\nCo H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.837126 0.220078 0.602598 H\n0.162876 0.397404 0.779923 H\n0.837124 0.602596 0.220079 H\n0.162876 0.779921 0.397404 H\n0.559316 0.240844 0.240844 Cl\n0.440684 0.759154 0.759155 Cl\n1.000000 0.760369 0.239630 O\n1.000001 0.239628 0.760372 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Co-H-O",
"density": 2.617757510174725,
"density_atomic": 0.08553731683356308,
"volume": 105.21723539109875,
"volume_molar": 7.040366687813893,
"formula_full": "Co1 H4 Cl2 O2",
"formula_reduced": "CoH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.3487840038888885,
"spacegroup": 12
},
{
"id": "jvasp-20387",
"created_at": "2022-09-04T14:37:36.585151Z",
"updated_at": "2022-09-04T14:37:36.585178Z",
"structure_string": "Pu1 S1\n1.0\n3.427725 -0.000000 1.978998\n1.142575 3.231690 1.978998\n-0.000000 -0.000000 3.957995\nPu S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"S"
],
"chemical_system": "Pu-S",
"density": 10.455613945839756,
"density_atomic": 0.04561619831258975,
"volume": 43.84407456085647,
"volume_molar": 13.201759424870643,
"formula_full": "Pu1 S1",
"formula_reduced": "PuS",
"formula_anonymous": "AB",
"energy_above_hull": 2.3487649999999998,
"spacegroup": 225
},
{
"id": "jvasp-20574",
"created_at": "2022-09-04T14:38:10.861861Z",
"updated_at": "2022-09-04T14:38:10.861872Z",
"structure_string": "Pu1 S1\n1.0\n3.427725 -0.000000 1.978998\n1.142575 3.231690 1.978998\n0.000000 0.000000 3.957995\nPu S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"S"
],
"chemical_system": "Pu-S",
"density": 10.455613945839756,
"density_atomic": 0.04561619831258975,
"volume": 43.84407456085647,
"volume_molar": 13.201759424870643,
"formula_full": "Pu1 S1",
"formula_reduced": "PuS",
"formula_anonymous": "AB",
"energy_above_hull": 2.3487649999999998,
"spacegroup": 225
}
]
}