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=-formula_reduced&page=4164",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4162",
"results": [
{
"id": "jvasp-65508",
"created_at": "2022-09-04T14:35:57.867629Z",
"updated_at": "2022-09-04T14:35:57.867649Z",
"structure_string": "Ba1 Zr1 Cu2\n1.0\n3.353253 -0.000000 0.000000\n0.000000 3.353253 0.000000\n0.000000 0.000000 8.067193\nBa Zr Cu\n1 1 2\ndirect\n0.500000 0.500000 0.792246 Ba\n0.000000 0.000000 0.408856 Zr\n0.000000 0.000000 0.080697 Cu\n0.500000 0.500000 0.218200 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Cu"
],
"chemical_system": "Ba-Cu-Zr",
"density": 6.510408983110935,
"density_atomic": 0.04409657922693429,
"volume": 90.70998408776323,
"volume_molar": 13.656707312846759,
"formula_full": "Ba1 Zr1 Cu2",
"formula_reduced": "BaZrCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8573453425,
"spacegroup": 99
},
{
"id": "jvasp-66573",
"created_at": "2022-09-04T14:35:49.657905Z",
"updated_at": "2022-09-04T14:35:49.657921Z",
"structure_string": "Ba1 Zr1 Cl1\n1.0\n0.000000 3.935884 3.935884\n3.935884 0.000000 3.935884\n3.935884 3.935884 -0.000000\nBa Zr Cl\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Cl"
],
"chemical_system": "Ba-Cl-Zr",
"density": 3.5950318149869336,
"density_atomic": 0.024601658649881775,
"volume": 121.9429975309578,
"volume_molar": 24.478596527592007,
"formula_full": "Ba1 Zr1 Cl1",
"formula_reduced": "BaZrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4077181791666666,
"spacegroup": 216
},
{
"id": "jvasp-63906",
"created_at": "2022-09-04T14:36:21.996010Z",
"updated_at": "2022-09-04T14:36:21.996025Z",
"structure_string": "Ba1 Zr1 Br1\n1.0\n0.000000 4.019786 4.019786\n4.019786 -0.000000 4.019786\n4.019786 4.019786 0.000000\nBa Zr Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Br"
],
"chemical_system": "Ba-Br-Zr",
"density": 3.9427761092922387,
"density_atomic": 0.02309311185443103,
"volume": 129.90886715097992,
"volume_molar": 26.07764946517804,
"formula_full": "Ba1 Zr1 Br1",
"formula_reduced": "BaZrBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3734781916666667,
"spacegroup": 216
},
{
"id": "jvasp-24297",
"created_at": "2022-09-04T14:38:29.039496Z",
"updated_at": "2022-09-04T14:38:29.039527Z",
"structure_string": "Ba2 Zr2 B4 O12\n1.0\n5.062687 -0.013300 10.546902\n2.389684 4.463226 10.546902\n-0.022273 -0.013300 11.699036\nBa Zr B O\n2 2 4 12\ndirect\n0.999833 0.999833 0.999832 Ba\n0.499833 0.499833 0.499832 Ba\n0.249831 0.249831 0.249831 Zr\n0.749831 0.749832 0.749831 Zr\n0.880524 0.880524 0.880523 B\n0.119139 0.119139 0.119139 B\n0.619139 0.619140 0.619139 B\n0.380523 0.380524 0.380523 B\n0.914111 0.027165 0.418222 O\n0.027166 0.418223 0.914110 O\n0.472513 0.081438 0.585536 O\n0.414109 0.918223 0.527165 O\n0.918223 0.527166 0.414109 O\n0.085536 0.581438 0.972513 O\n0.581437 0.972514 0.085536 O\n0.527166 0.414110 0.918222 O\n0.585536 0.472513 0.081437 O\n0.081437 0.585536 0.472513 O\n0.418222 0.914111 0.027165 O\n0.972514 0.085536 0.581437 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"B",
"O"
],
"chemical_system": "B-Ba-O-Zr",
"density": 4.319597187729591,
"density_atomic": 0.07514593230943392,
"volume": 266.14880387197184,
"volume_molar": 8.013927800113237,
"formula_full": "Ba2 Zr2 B4 O12",
"formula_reduced": "BaZr(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.977655663666667,
"spacegroup": 167
},
{
"id": "jvasp-69218",
"created_at": "2022-09-04T14:36:00.351421Z",
"updated_at": "2022-09-04T14:36:00.351447Z",
"structure_string": "Ba1 Zr1 Bi2\n1.0\n6.052515 0.000000 -0.000000\n0.000000 6.052515 -0.000000\n0.000000 -0.000000 3.424497\nBa Zr Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Zr\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Bi"
],
"chemical_system": "Ba-Bi-Zr",
"density": 8.557699147486835,
"density_atomic": 0.03188536937188608,
"volume": 125.44938568366952,
"volume_molar": 18.88684647106467,
"formula_full": "Ba1 Zr1 Bi2",
"formula_reduced": "BaZrBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4012022675,
"spacegroup": 123
},
{
"id": "jvasp-66085",
"created_at": "2022-09-04T14:36:14.552255Z",
"updated_at": "2022-09-04T14:36:14.552278Z",
"structure_string": "Ba1 Zr1 Bi1\n1.0\n0.000000 3.937704 3.937704\n3.937704 0.000000 3.937704\n3.937704 3.937704 0.000000\nBa Zr Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Bi"
],
"chemical_system": "Ba-Bi-Zr",
"density": 5.949755615317962,
"density_atomic": 0.024567561881566002,
"volume": 122.11223948319498,
"volume_molar": 24.512569822887663,
"formula_full": "Ba1 Zr1 Bi1",
"formula_reduced": "BaZrBi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.72616159,
"spacegroup": 216
},
{
"id": "jvasp-64757",
"created_at": "2022-09-04T14:36:06.102572Z",
"updated_at": "2022-09-04T14:36:06.102592Z",
"structure_string": "Ba1 Zr4 Tl1\n1.0\n-0.000000 4.312214 4.312214\n4.312214 -0.000000 4.312214\n4.312214 4.312214 -0.000000\nBa Zr Tl\n1 4 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.872792 0.375736 0.375736 Zr\n0.375736 0.375736 0.872792 Zr\n0.375736 0.872792 0.375736 Zr\n0.375736 0.375736 0.375736 Zr\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Tl"
],
"chemical_system": "Ba-Tl-Zr",
"density": 7.316370523424473,
"density_atomic": 0.03741281091855817,
"volume": 160.3728736945497,
"volume_molar": 16.096466991237993,
"formula_full": "Ba1 Zr4 Tl1",
"formula_reduced": "BaZr4Tl",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.093952761666667,
"spacegroup": 216
},
{
"id": "jvasp-69195",
"created_at": "2022-09-04T14:36:11.770358Z",
"updated_at": "2022-09-04T14:36:11.770382Z",
"structure_string": "Ba1 Zr4 Ti1\n1.0\n-0.000000 4.245161 4.245161\n4.245161 -0.000000 4.245161\n4.245161 4.245161 0.000000\nBa Zr Ti\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.116861 0.627713 0.627713 Zr\n0.627713 0.627713 0.627713 Zr\n0.627713 0.116861 0.627713 Zr\n0.627713 0.627713 0.116861 Zr\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ti"
],
"chemical_system": "Ba-Ti-Zr",
"density": 5.969945337470831,
"density_atomic": 0.0392137844689188,
"volume": 153.00742025436628,
"volume_molar": 15.35720370160448,
"formula_full": "Ba1 Zr4 Ti1",
"formula_reduced": "BaZr4Ti",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.9560703838888895,
"spacegroup": 216
},
{
"id": "jvasp-65669",
"created_at": "2022-09-04T14:36:18.933741Z",
"updated_at": "2022-09-04T14:36:18.933767Z",
"structure_string": "Ba1 Zr4 Ta1\n1.0\n-0.000000 4.191932 4.191932\n4.191932 0.000000 4.191932\n4.191932 4.191932 0.000000\nBa Zr Ta\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117311 0.627563 0.627563 Zr\n0.627563 0.627563 0.627563 Zr\n0.627563 0.117311 0.627563 Zr\n0.627563 0.627563 0.117311 Zr\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ta"
],
"chemical_system": "Ba-Ta-Zr",
"density": 7.700266588039853,
"density_atomic": 0.040726638669428765,
"volume": 147.32372216379025,
"volume_molar": 14.786736535957944,
"formula_full": "Ba1 Zr4 Ta1",
"formula_reduced": "BaZr4Ta",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.502297195,
"spacegroup": 216
},
{
"id": "jvasp-65754",
"created_at": "2022-09-04T14:36:03.536153Z",
"updated_at": "2022-09-04T14:36:03.536176Z",
"structure_string": "Ba1 Zr4 Pd1\n1.0\n0.000000 4.206919 4.206919\n4.206919 -0.000000 4.206919\n4.206919 4.206919 0.000000\nBa Zr Pd\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.626217 0.121351 0.626217 Zr\n0.121351 0.626217 0.626217 Zr\n0.626217 0.626217 0.626217 Zr\n0.626217 0.626217 0.121351 Zr\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pd"
],
"chemical_system": "Ba-Pd-Zr",
"density": 6.787178682471426,
"density_atomic": 0.040292925806989545,
"volume": 148.9095140109977,
"volume_molar": 14.945900897957005,
"formula_full": "Ba1 Zr4 Pd1",
"formula_reduced": "BaZr4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.529088278333333,
"spacegroup": 216
},
{
"id": "jvasp-65529",
"created_at": "2022-09-04T14:35:41.049111Z",
"updated_at": "2022-09-04T14:35:41.049127Z",
"structure_string": "Ba1 Zr4 Ni1\n1.0\n0.000000 4.199230 4.199230\n4.199230 -0.000000 4.199230\n4.199230 4.199230 -0.000000\nBa Zr Ni\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.626439 0.120686 0.626439 Zr\n0.120686 0.626439 0.626439 Zr\n0.626439 0.626439 0.626439 Zr\n0.626439 0.626439 0.120686 Zr\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ni"
],
"chemical_system": "Ba-Ni-Zr",
"density": 6.289386042061788,
"density_atomic": 0.04051466641271072,
"volume": 148.09451814016694,
"volume_molar": 14.864100567074313,
"formula_full": "Ba1 Zr4 Ni1",
"formula_reduced": "BaZr4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.4504460616666672,
"spacegroup": 216
},
{
"id": "jvasp-65735",
"created_at": "2022-09-04T14:36:03.648030Z",
"updated_at": "2022-09-04T14:36:03.648041Z",
"structure_string": "Ba1 Zr4 Nb1\n1.0\n0.000000 4.205480 4.205480\n4.205480 0.000000 4.205480\n4.205480 4.205480 -0.000000\nBa Zr Nb\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.117581 0.627473 0.627473 Zr\n0.627473 0.627473 0.627473 Zr\n0.627473 0.117581 0.627473 Zr\n0.627473 0.627473 0.117581 Zr\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Nb"
],
"chemical_system": "Ba-Nb-Zr",
"density": 6.643298652177202,
"density_atomic": 0.04033430136615495,
"volume": 148.75676029521316,
"volume_molar": 14.930569158322545,
"formula_full": "Ba1 Zr4 Nb1",
"formula_reduced": "BaZr4Nb",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.269810561666667,
"spacegroup": 216
}
]
}