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=structure_string&page=406",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=404",
"results": [
{
"id": "jvasp-63912",
"created_at": "2022-09-04T14:35:41.566678Z",
"updated_at": "2022-09-04T14:35:41.566704Z",
"structure_string": "Ba4 Ca1 Re1\n1.0\n0.000000 4.893248 4.893248\n4.893248 0.000000 4.893248\n4.893248 4.893248 0.000000\nBa Ca Re\n4 1 1\ndirect\n0.119112 0.626963 0.626963 Ba\n0.626963 0.626963 0.626963 Ba\n0.626963 0.119112 0.626963 Ba\n0.626963 0.626963 0.119112 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Re"
],
"chemical_system": "Ba-Ca-Re",
"density": 5.496184471513298,
"density_atomic": 0.025605282571001184,
"volume": 234.3266465957769,
"volume_molar": 23.519134160309054,
"formula_full": "Ba4 Ca1 Re1",
"formula_reduced": "Ba4CaRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2203787166666664,
"spacegroup": 216
},
{
"id": "jvasp-64300",
"created_at": "2022-09-04T14:36:16.462565Z",
"updated_at": "2022-09-04T14:36:16.462587Z",
"structure_string": "Ba4 Ca1 Rh1\n1.0\n-0.000000 5.017670 5.017670\n5.017670 -0.000000 5.017670\n5.017670 5.017670 0.000000\nBa Ca Rh\n4 1 1\ndirect\n0.372872 0.881384 0.372872 Ba\n0.372872 0.372872 0.881384 Ba\n0.372872 0.372872 0.372872 Ba\n0.881384 0.372872 0.372872 Ba\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Rh"
],
"chemical_system": "Ba-Ca-Rh",
"density": 4.549899615145003,
"density_atomic": 0.02374733990153738,
"volume": 252.6598779011693,
"volume_molar": 25.359222485420915,
"formula_full": "Ba4 Ca1 Rh1",
"formula_reduced": "Ba4CaRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3876912166666666,
"spacegroup": 216
},
{
"id": "jvasp-64238",
"created_at": "2022-09-04T14:35:41.011219Z",
"updated_at": "2022-09-04T14:35:41.011239Z",
"structure_string": "Ba4 Ca1 Ru1\n1.0\n-0.000000 4.998304 4.998304\n4.998304 0.000000 4.998304\n4.998304 4.998304 -0.000000\nBa Ca Ru\n4 1 1\ndirect\n0.119089 0.626970 0.626970 Ba\n0.626970 0.626970 0.626970 Ba\n0.626970 0.119089 0.626970 Ba\n0.626970 0.626970 0.119089 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ru"
],
"chemical_system": "Ba-Ca-Ru",
"density": 4.590786647143315,
"density_atomic": 0.02402443897752746,
"volume": 249.7456862827232,
"volume_molar": 25.066727949956004,
"formula_full": "Ba4 Ca1 Ru1",
"formula_reduced": "Ba4CaRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7239124666666666,
"spacegroup": 216
},
{
"id": "jvasp-64780",
"created_at": "2022-09-04T14:35:42.223568Z",
"updated_at": "2022-09-04T14:35:42.223589Z",
"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sn"
],
"chemical_system": "Ba-Ca-Sn",
"density": 4.2770865470680395,
"density_atomic": 0.02182519085382257,
"volume": 274.9116853174794,
"volume_molar": 27.592614425844772,
"formula_full": "Ba4 Ca1 Sn1",
"formula_reduced": "Ba4CaSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64375",
"created_at": "2022-09-04T14:35:42.513407Z",
"updated_at": "2022-09-04T14:35:42.513418Z",
"structure_string": "Ba4 Ca1 Ta1\n1.0\n0.000000 5.098612 5.098612\n5.098612 0.000000 5.098612\n5.098612 5.098612 0.000000\nBa Ca Ta\n4 1 1\ndirect\n0.120412 0.626529 0.626529 Ba\n0.626529 0.626529 0.626529 Ba\n0.626529 0.120412 0.626529 Ba\n0.626529 0.626529 0.120412 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ta"
],
"chemical_system": "Ba-Ca-Ta",
"density": 4.825498771524184,
"density_atomic": 0.022634211167787275,
"volume": 265.08544766689835,
"volume_molar": 26.606364654627924,
"formula_full": "Ba4 Ca1 Ta1",
"formula_reduced": "Ba4CaTa",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1431622499999996,
"spacegroup": 216
},
{
"id": "jvasp-64413",
"created_at": "2022-09-04T14:36:15.842034Z",
"updated_at": "2022-09-04T14:36:15.842068Z",
"structure_string": "Ba4 Ca1 Tc1\n1.0\n0.000000 4.958046 4.958046\n4.958046 0.000000 4.958046\n4.958046 4.958046 -0.000000\nBa Ca Tc\n4 1 1\ndirect\n0.119364 0.626879 0.626879 Ba\n0.626879 0.626879 0.626879 Ba\n0.626879 0.119364 0.626879 Ba\n0.626879 0.626879 0.119364 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Tc"
],
"chemical_system": "Ba-Ca-Tc",
"density": 4.682611518659341,
"density_atomic": 0.024614419583327864,
"volume": 243.75955645381103,
"volume_molar": 24.465906009333608,
"formula_full": "Ba4 Ca1 Tc1",
"formula_reduced": "Ba4CaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9226426333333332,
"spacegroup": 216
},
{
"id": "jvasp-64320",
"created_at": "2022-09-04T14:38:07.895096Z",
"updated_at": "2022-09-04T14:38:07.895123Z",
"structure_string": "Ba4 Ca1 V1\n1.0\n-0.000000 5.123557 5.123557\n5.123557 -0.000000 5.123557\n5.123557 5.123557 0.000000\nBa Ca V\n4 1 1\ndirect\n0.120515 0.626495 0.626495 Ba\n0.626495 0.626495 0.626495 Ba\n0.626495 0.120515 0.626495 Ba\n0.626495 0.626495 0.120515 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"V"
],
"chemical_system": "Ba-Ca-V",
"density": 3.9528154573338132,
"density_atomic": 0.02230522139742019,
"volume": 268.9953124918974,
"volume_molar": 26.998793926773207,
"formula_full": "Ba4 Ca1 V1",
"formula_reduced": "Ba4CaV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7098130833333333,
"spacegroup": 216
},
{
"id": "jvasp-64115",
"created_at": "2022-09-04T14:36:05.523677Z",
"updated_at": "2022-09-04T14:36:05.523756Z",
"structure_string": "Ba4 Ca1 W1\n1.0\n-0.000000 4.935203 4.935203\n4.935203 0.000000 4.935203\n4.935203 4.935203 -0.000000\nBa Ca W\n4 1 1\ndirect\n0.119344 0.626885 0.626885 Ba\n0.626885 0.626885 0.626885 Ba\n0.626885 0.119344 0.626885 Ba\n0.626885 0.626885 0.119344 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"W"
],
"chemical_system": "Ba-Ca-W",
"density": 5.340851306134487,
"density_atomic": 0.02495779372774845,
"volume": 240.40586541626513,
"volume_molar": 24.129299351106074,
"formula_full": "Ba4 Ca1 W1",
"formula_reduced": "Ba4CaW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4067557166666664,
"spacegroup": 216
},
{
"id": "jvasp-50799",
"created_at": "2022-09-04T14:37:09.787807Z",
"updated_at": "2022-09-04T14:37:09.787823Z",
"structure_string": "Ba4 Ca2 I12\n1.0\n7.787178 -0.000000 0.000000\n-0.000000 7.787178 0.000000\n0.000000 0.000000 15.097164\nBa Ca I\n4 2 12\ndirect\n0.000000 0.000000 0.333264 Ba\n0.000000 0.000000 0.666735 Ba\n0.500000 0.500000 0.166736 Ba\n0.500000 0.500000 0.833264 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.785789 0.214211 0.500000 I\n0.714211 0.714211 0.000000 I\n0.691012 0.691012 0.652937 I\n0.691012 0.691012 0.347063 I\n0.308988 0.308988 0.652937 I\n0.214211 0.785789 0.500000 I\n0.285789 0.285789 0.000000 I\n0.808988 0.191012 0.152937 I\n0.191012 0.808988 0.847063 I\n0.191012 0.808988 0.152937 I\n0.308988 0.308988 0.347063 I\n0.808988 0.191012 0.847063 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 3.903910799057311,
"density_atomic": 0.019661512711551764,
"volume": 915.4941567351747,
"volume_molar": 30.629081537870693,
"formula_full": "Ba4 Ca2 I12",
"formula_reduced": "Ba2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0030772222222222,
"spacegroup": 136
},
{
"id": "jvasp-96084",
"created_at": "2022-09-04T14:36:15.559390Z",
"updated_at": "2022-09-04T14:36:15.559417Z",
"structure_string": "Ba4 Ca2 Mg2 Al4 F28\n1.0\n5.240271 0.000000 0.000000\n-2.620136 6.824902 -0.220117\n0.000000 -0.003362 14.682696\nBa Ca Mg Al F\n4 2 2 4 28\ndirect\n0.844949 0.615255 0.382048 Ba\n0.229695 0.384745 0.117952 Ba\n0.155050 0.384745 0.617952 Ba\n0.770304 0.615255 0.882048 Ba\n0.560913 0.000000 0.250000 Ca\n0.439087 0.000000 0.750000 Ca\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.878627 0.767365 0.621877 Al\n0.111263 0.232636 0.878123 Al\n0.121372 0.232636 0.378123 Al\n0.888736 0.767364 0.121877 Al\n0.068458 0.014351 0.659410 F\n0.039312 0.680498 0.716108 F\n0.358814 0.319502 0.783892 F\n0.960687 0.319502 0.283892 F\n0.641185 0.680498 0.216108 F\n0.512499 0.131768 0.119246 F\n0.590121 0.745007 0.694750 F\n0.154884 0.745006 0.194749 F\n0.409878 0.254993 0.305251 F\n0.380729 0.868231 0.380754 F\n0.054106 0.985649 0.840590 F\n0.845115 0.254994 0.805251 F\n0.931541 0.985649 0.340590 F\n0.265478 0.156462 0.476676 F\n0.596573 0.773594 0.051052 F\n0.822979 0.226406 0.448948 F\n0.403426 0.226406 0.948948 F\n0.177020 0.773594 0.551052 F\n0.619270 0.131769 0.619246 F\n0.109016 0.843538 0.023324 F\n0.734521 0.843538 0.523325 F\n0.890983 0.156462 0.976676 F\n0.716527 0.517276 0.578133 F\n0.199252 0.482724 0.921867 F\n0.283472 0.482724 0.421867 F\n0.800747 0.517276 0.078133 F\n0.945893 0.014351 0.159410 F\n0.487500 0.868232 0.880754 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Mg",
"Al",
"F"
],
"chemical_system": "Al-Ba-Ca-F-Mg",
"density": 4.167705848558649,
"density_atomic": 0.07617408126877145,
"volume": 525.1129955721372,
"volume_molar": 7.905760935601667,
"formula_full": "Ba4 Ca2 Mg2 Al4 F28",
"formula_reduced": "Ba2CaMgAl2F14",
"formula_anonymous": "ABC2D2E14",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-99409",
"created_at": "2022-09-04T14:36:36.280458Z",
"updated_at": "2022-09-04T14:36:36.280469Z",
"structure_string": "Ba4 Ca2 N4\n1.0\n3.649375 -0.000000 0.000000\n0.000000 5.945102 0.000000\n-0.000000 -0.000000 11.294711\nBa Ca N\n4 2 4\ndirect\n0.228611 0.250000 0.931976 Ba\n0.228611 0.250000 0.568024 Ba\n0.771390 0.750000 0.068024 Ba\n0.771390 0.750000 0.431976 Ba\n0.224690 0.250000 0.250000 Ca\n0.775312 0.750000 0.750000 Ca\n0.710407 0.250000 0.403112 N\n0.710407 0.250000 0.096888 N\n0.289595 0.750000 0.596888 N\n0.289595 0.750000 0.903112 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"N"
],
"chemical_system": "Ba-Ca-N",
"density": 4.645129244173577,
"density_atomic": 0.040808165720783975,
"volume": 245.0489950570581,
"volume_molar": 14.757195413301483,
"formula_full": "Ba4 Ca2 N4",
"formula_reduced": "Ba2CaN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.882243772,
"spacegroup": 59
},
{
"id": "jvasp-98684",
"created_at": "2022-09-04T14:36:05.455856Z",
"updated_at": "2022-09-04T14:36:05.455879Z",
"structure_string": "Ba4 Ca2 Pd6 O12\n1.0\n6.902139 0.029209 -2.225037\n-2.719122 6.344032 -2.225037\n-0.003767 -0.005740 8.743036\nBa Ca Pd O\n4 2 6 12\ndirect\n0.228383 0.771617 -0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ba\n0.771618 0.228382 -0.000000 Ba\n0.328751 0.328751 0.657502 Ca\n0.671249 0.671249 0.342497 Ca\n0.327195 0.327195 -0.000000 Pd\n0.672805 0.672805 -0.000000 Pd\n0.992649 0.992649 0.302640 Pd\n0.690009 0.690009 0.697360 Pd\n0.309991 0.309991 0.302640 Pd\n0.007351 0.007351 0.697360 Pd\n0.466977 0.702559 0.796845 O\n0.312714 0.075959 0.388673 O\n0.687286 0.924041 0.611327 O\n0.670132 0.905713 0.203154 O\n0.924041 0.687286 0.611327 O\n0.094286 0.329868 0.796845 O\n0.533023 0.297441 0.203154 O\n0.329868 0.094287 0.796846 O\n0.297441 0.533023 0.203154 O\n0.905714 0.670132 0.203154 O\n0.075959 0.312714 0.388673 O\n0.702559 0.466977 0.796845 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Pd",
"O"
],
"chemical_system": "Ba-Ca-O-Pd",
"density": 6.324057680768066,
"density_atomic": 0.06260543133195912,
"volume": 383.3533207804667,
"volume_molar": 9.619198577305848,
"formula_full": "Ba4 Ca2 Pd6 O12",
"formula_reduced": "Ba2Ca(PdO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.726199205,
"spacegroup": 69
}
]
}