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_full&page=357",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=355",
"results": [
{
"id": "jvasp-10994",
"created_at": "2022-09-04T14:37:00.364208Z",
"updated_at": "2022-09-04T14:37:00.364235Z",
"structure_string": "Ba2 Pd2 F8\n1.0\n5.601017 0.000000 -2.726712\n-1.327430 5.441445 -2.726712\n-0.046060 -0.058646 7.021349\nBa Pd F\n2 2 8\ndirect\n0.750000 0.750000 0.500001 Ba\n0.250000 0.250000 0.500000 Ba\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.967029 0.467028 0.256435 F\n0.710594 0.210593 0.743566 F\n0.032972 0.532972 0.743566 F\n0.210593 0.032972 0.743566 F\n0.289407 0.789407 0.256435 F\n0.467028 0.289407 0.256435 F\n0.789407 0.967029 0.256436 F\n0.532972 0.710594 0.743566 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"F"
],
"chemical_system": "Ba-F-Pd",
"density": 5.004099855014796,
"density_atomic": 0.05654970155435102,
"volume": 212.20271142309332,
"volume_molar": 10.64928831536273,
"formula_full": "Ba2 Pd2 F8",
"formula_reduced": "BaPdF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-37942",
"created_at": "2022-09-04T14:38:09.887129Z",
"updated_at": "2022-09-04T14:38:09.887151Z",
"structure_string": "Ba2 Pd2 O5\n1.0\n4.067015 -0.000000 0.000000\n0.000000 4.067015 -0.000000\n0.000000 0.000000 8.391484\nBa Pd O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500001 0.500001 0.251346 Pd\n0.500001 0.500001 0.748654 Pd\n0.500001 0.000000 0.219863 O\n0.500001 0.000000 0.780136 O\n0.500001 0.500001 0.500000 O\n0.000000 0.500001 0.219863 O\n0.000000 0.500001 0.780136 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"O"
],
"chemical_system": "Ba-O-Pd",
"density": 6.789186775380853,
"density_atomic": 0.06484137119225296,
"volume": 138.8002726425269,
"volume_molar": 9.287497548663046,
"formula_full": "Ba2 Pd2 O5",
"formula_reduced": "Ba2Pd2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.7790945377777776,
"spacegroup": 123
},
{
"id": "jvasp-2319",
"created_at": "2022-09-04T14:36:38.405851Z",
"updated_at": "2022-09-04T14:36:38.405874Z",
"structure_string": "Ba2 Pd2 S4\n1.0\n5.643232 0.000000 0.000000\n0.000000 5.763369 -2.699934\n0.000000 -0.018411 6.364411\nBa Pd S\n2 2 4\ndirect\n0.750000 0.349410 0.650591 Ba\n0.250000 0.650591 0.349410 Ba\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.750000 0.858684 0.664518 S\n0.250000 0.141317 0.335482 S\n0.750000 0.335482 0.141317 S\n0.250000 0.664518 0.858684 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"S"
],
"chemical_system": "Ba-Pd-S",
"density": 4.946325987953769,
"density_atomic": 0.038700482796178444,
"volume": 206.71576740096833,
"volume_molar": 15.560893107500634,
"formula_full": "Ba2 Pd2 S4",
"formula_reduced": "BaPdS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9693854175,
"spacegroup": 63
},
{
"id": "jvasp-120723",
"created_at": "2022-09-04T14:38:53.824277Z",
"updated_at": "2022-09-04T14:38:53.824298Z",
"structure_string": "Ba2 Pd2 Se4 O12\n1.0\n4.879820 0.014510 0.080706\n2.053997 4.426505 0.080706\n-0.098045 -0.062796 16.043808\nBa Pd Se O\n2 2 4 12\ndirect\n0.470714 0.529286 0.750000 Ba\n0.529286 0.470714 0.250000 Ba\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500001 0.000000 Pd\n0.873932 0.849108 0.590131 Se\n0.150892 0.126067 0.909869 Se\n0.126067 0.150892 0.409869 Se\n0.849108 0.873933 0.090131 Se\n0.757406 0.333594 0.897520 O\n0.666406 0.242593 0.602481 O\n0.838593 0.242627 0.079313 O\n0.757373 0.161407 0.420688 O\n0.161407 0.757373 0.920688 O\n0.249668 0.122019 0.807520 O\n0.750331 0.877982 0.192481 O\n0.122019 0.249669 0.307520 O\n0.333594 0.757407 0.397520 O\n0.877980 0.750332 0.692481 O\n0.242626 0.838593 0.579313 O\n0.242593 0.666407 0.102481 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Pd",
"Se",
"O"
],
"chemical_system": "Ba-O-Pd-Se",
"density": 4.775077603508553,
"density_atomic": 0.057782407704061615,
"volume": 346.126109912761,
"volume_molar": 10.42210077302939,
"formula_full": "Ba2 Pd2 Se4 O12",
"formula_reduced": "BaPd(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.097404940333333,
"spacegroup": 15
},
{
"id": "jvasp-19809",
"created_at": "2022-09-04T14:37:41.701450Z",
"updated_at": "2022-09-04T14:37:41.701469Z",
"structure_string": "Ba2 Pd4\n1.0\n4.954332 -0.000000 2.860385\n1.651444 4.670989 2.860385\n-0.000000 -0.000000 5.720770\nBa Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Ba\n0.874999 0.875000 0.875002 Ba\n0.500000 0.000000 0.500001 Pd\n-0.000000 0.500000 0.500001 Pd\n0.499999 0.500000 0.500001 Pd\n0.499999 0.500000 0.000001 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Pd"
],
"chemical_system": "Ba-Pd",
"density": 8.78427392675164,
"density_atomic": 0.04532134731106369,
"volume": 132.38794422458182,
"volume_molar": 13.287647250791014,
"formula_full": "Ba2 Pd4",
"formula_reduced": "BaPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6962157899999998,
"spacegroup": 227
},
{
"id": "jvasp-50756",
"created_at": "2022-09-04T14:37:32.265494Z",
"updated_at": "2022-09-04T14:37:32.265504Z",
"structure_string": "Ba2 Pd4 O8\n1.0\n-3.160241 3.160241 5.196813\n3.160241 -3.160241 5.196813\n3.160241 3.160241 -5.196813\nBa Pd O\n2 4 8\ndirect\n0.375000 0.125000 0.250000 Ba\n0.625000 0.875000 0.750000 Ba\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n-0.000000 0.500000 -0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.980853 0.319087 0.135325 O\n0.819087 0.183762 0.338234 O\n0.345527 0.480853 0.161765 O\n0.316238 0.154473 0.635325 O\n0.683762 0.845527 0.364675 O\n0.654472 0.519146 0.838234 O\n0.180913 0.816238 0.661765 O\n0.019147 0.680913 0.864675 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"O"
],
"chemical_system": "Ba-O-Pd",
"density": 6.6254378035925825,
"density_atomic": 0.06743580534056673,
"volume": 207.6048462578106,
"volume_molar": 8.93018290444782,
"formula_full": "Ba2 Pd4 O8",
"formula_reduced": "Ba(PdO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.88615591,
"spacegroup": 88
},
{
"id": "jvasp-12973",
"created_at": "2022-09-04T14:36:50.612581Z",
"updated_at": "2022-09-04T14:36:50.612595Z",
"structure_string": "Ba2 Pd4 S8\n1.0\n0.000000 6.773185 0.022068\n6.836409 0.000000 0.000000\n0.000000 -2.537291 -6.824455\nBa Pd S\n2 4 8\ndirect\n0.280748 0.250000 0.490881 Ba\n0.719251 0.750000 0.509119 Ba\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.480987 0.750000 0.986861 Pd\n0.519012 0.250000 0.013138 Pd\n0.369997 0.496555 0.147049 S\n0.630002 0.996555 0.852950 S\n0.630002 0.503445 0.852950 S\n0.369997 0.003445 0.147049 S\n0.027211 0.250000 0.786209 S\n0.972788 0.750000 0.213790 S\n0.207209 0.750000 0.495409 S\n0.792790 0.250000 0.504590 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"S"
],
"chemical_system": "Ba-Pd-S",
"density": 5.034220448851479,
"density_atomic": 0.04435733961342394,
"volume": 315.6185677953318,
"volume_molar": 13.576424583807794,
"formula_full": "Ba2 Pd4 S8",
"formula_reduced": "Ba(PdS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.605008195714286,
"spacegroup": 11
},
{
"id": "jvasp-102640",
"created_at": "2022-09-04T14:37:00.248230Z",
"updated_at": "2022-09-04T14:37:00.248256Z",
"structure_string": "Ba2 Pr1 Bi1 O6\n1.0\n5.387442 -0.000708 3.113672\n1.783979 5.083498 3.113672\n-0.009288 -0.006583 6.302140\nBa Pr Bi O\n2 1 1 6\ndirect\n0.751998 0.751999 0.739915 Ba\n0.248001 0.248001 0.260085 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Bi\n0.737321 0.737321 0.186188 O\n0.262678 0.262679 0.813812 O\n0.698545 0.216290 0.306154 O\n0.301454 0.783710 0.693846 O\n0.783709 0.301455 0.693846 O\n0.216290 0.698546 0.306154 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Pr",
"density": 6.9230501059597565,
"density_atomic": 0.0578617036204387,
"volume": 172.8258826528513,
"volume_molar": 10.407817923067128,
"formula_full": "Ba2 Pr1 Bi1 O6",
"formula_reduced": "Ba2PrBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.727579709,
"spacegroup": 12
},
{
"id": "jvasp-21144",
"created_at": "2022-09-04T14:37:47.894533Z",
"updated_at": "2022-09-04T14:37:47.894550Z",
"structure_string": "Ba2 Pr1 Ir1 O6\n1.0\n5.272053 0.000000 3.043822\n1.757351 4.970540 3.043822\n0.000000 0.000000 6.087643\nBa Pr Ir O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ir\n0.269907 0.730092 0.730092 O\n0.269907 0.730092 0.269907 O\n0.730092 0.269908 0.730092 O\n0.269907 0.269908 0.730092 O\n0.730092 0.269908 0.269907 O\n0.730092 0.730092 0.269907 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Pr",
"density": 7.325722223767193,
"density_atomic": 0.06268555615239839,
"volume": 159.5263823724948,
"volume_molar": 9.606903295807463,
"formula_full": "Ba2 Pr1 Ir1 O6",
"formula_reduced": "Ba2PrIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.182076389,
"spacegroup": 225
},
{
"id": "jvasp-103517",
"created_at": "2022-09-04T14:36:41.528295Z",
"updated_at": "2022-09-04T14:36:41.528318Z",
"structure_string": "Ba2 Pr1 Nb1 O6\n1.0\n5.347594 -0.000000 3.087435\n1.782532 5.041760 3.087435\n-0.000000 0.000000 6.174869\nBa Pr Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.749999 Ba\n0.499999 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Nb\n0.768491 0.231508 0.231507 O\n0.231507 0.768492 0.768492 O\n0.231508 0.231508 0.768492 O\n0.768491 0.768492 0.231507 O\n0.231507 0.768492 0.231507 O\n0.768491 0.231508 0.768492 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Pr",
"density": 6.029086336200661,
"density_atomic": 0.060066407188493015,
"volume": 166.48240619118818,
"volume_molar": 10.025804841468306,
"formula_full": "Ba2 Pr1 Nb1 O6",
"formula_reduced": "Ba2PrNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.217287219,
"spacegroup": 225
},
{
"id": "jvasp-34274",
"created_at": "2022-09-04T14:36:33.806052Z",
"updated_at": "2022-09-04T14:36:33.806072Z",
"structure_string": "Ba2 Pr1 Nb1 O6\n1.0\n5.317872 -0.023207 3.014104\n1.745441 5.023421 3.014164\n-0.032864 -0.023192 6.112390\nBa Pr Nb O\n2 1 1 6\ndirect\n0.251960 0.251968 0.251965 Ba\n0.748041 0.748032 0.748034 Ba\n0.000000 0.000000 -0.000000 Pr\n0.500000 0.500000 0.499999 Nb\n0.788185 0.672379 0.274441 O\n0.274428 0.788174 0.672394 O\n0.672381 0.274424 0.788192 O\n0.211815 0.327621 0.725557 O\n0.327619 0.725576 0.211807 O\n0.725572 0.211826 0.327605 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Pr",
"density": 6.1098011770104765,
"density_atomic": 0.06087055067290893,
"volume": 164.28305460444278,
"volume_molar": 9.893356793107206,
"formula_full": "Ba2 Pr1 Nb1 O6",
"formula_reduced": "Ba2PrNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.215239219,
"spacegroup": 148
},
{
"id": "jvasp-22399",
"created_at": "2022-09-04T14:38:17.382435Z",
"updated_at": "2022-09-04T14:38:17.382462Z",
"structure_string": "Ba2 Pr1 Pt1 O6\n1.0\n5.272102 -0.000000 3.043849\n1.757367 4.970585 3.043849\n-0.000000 -0.000000 6.087698\nBa Pr Pt O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750001 Ba\n0.500000 0.499999 0.500000 Pr\n0.000000 0.000000 0.000000 Pt\n0.231209 0.768790 0.768792 O\n0.231209 0.768790 0.231209 O\n0.768791 0.231209 0.768792 O\n0.231209 0.231209 0.768792 O\n0.768791 0.231209 0.231209 O\n0.768792 0.768790 0.231209 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Pt",
"O"
],
"chemical_system": "Ba-O-Pr-Pt",
"density": 7.355363938261502,
"density_atomic": 0.06268383970717019,
"volume": 159.5307506163528,
"volume_molar": 9.607166357601333,
"formula_full": "Ba2 Pr1 Pt1 O6",
"formula_reduced": "Ba2PrPtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.952125419,
"spacegroup": 225
}
]
}