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=240",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=238",
"results": [
{
"id": "jvasp-119954",
"created_at": "2022-09-04T14:38:54.365775Z",
"updated_at": "2022-09-04T14:38:54.365802Z",
"structure_string": "Ba1 Mo1 O1\n1.0\n3.086271 0.000000 0.000000\n0.000000 3.086271 0.000000\n0.000000 -0.000000 7.247120\nBa Mo O\n1 1 1\ndirect\n0.000000 0.000000 0.330807 Ba\n0.000000 0.000000 0.748022 Mo\n0.000000 0.000000 -0.011563 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 5.996243633068672,
"density_atomic": 0.04345979626865745,
"volume": 69.02931577163316,
"volume_molar": 13.856808538108766,
"formula_full": "Ba1 Mo1 O1",
"formula_reduced": "BaMoO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3985184566666664,
"spacegroup": 99
},
{
"id": "jvasp-17473",
"created_at": "2022-09-04T14:37:36.421318Z",
"updated_at": "2022-09-04T14:37:36.421328Z",
"structure_string": "Ba1 Mo1 O3\n1.0\n4.066141 0.000000 0.000000\n0.000000 4.066141 0.000000\n-0.000000 0.000000 4.066141\nBa Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mo\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",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 6.947327879023389,
"density_atomic": 0.07437426743125233,
"volume": 67.22755292509923,
"volume_molar": 8.097075733305946,
"formula_full": "Ba1 Mo1 O3",
"formula_reduced": "BaMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2351104740000003,
"spacegroup": 221
},
{
"id": "jvasp-69036",
"created_at": "2022-09-04T14:36:11.371712Z",
"updated_at": "2022-09-04T14:36:11.371723Z",
"structure_string": "Ba1 Mo1 Os2\n1.0\n5.107554 0.000000 0.000000\n0.000000 5.107554 0.000000\n0.000000 0.000000 3.023344\nBa Mo Os\n1 1 2\ndirect\n-0.000000 -0.000000 0.499999 Ba\n0.500000 0.500000 0.499999 Mo\n0.000000 0.500000 -0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Os"
],
"chemical_system": "Ba-Mo-Os",
"density": 12.921437427744129,
"density_atomic": 0.050716175132134375,
"volume": 78.87030103469992,
"volume_molar": 11.874201365363414,
"formula_full": "Ba1 Mo1 Os2",
"formula_reduced": "BaMoOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7681654675,
"spacegroup": 123
},
{
"id": "jvasp-111911",
"created_at": "2022-09-04T14:38:42.489695Z",
"updated_at": "2022-09-04T14:38:42.489729Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.923777 -0.004587 0.328327\n2.053014 4.475347 0.328327\n0.017726 0.011359 7.827700\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mo\n0.369920 0.369920 0.290118 P\n0.630081 0.630080 0.709883 P\n0.285457 0.762146 0.687474 O\n0.686190 0.686189 0.890059 O\n0.714543 0.237854 0.312527 O\n0.235499 0.235498 0.438424 O\n0.764502 0.764502 0.561577 O\n0.237854 0.714543 0.312527 O\n0.313811 0.313811 0.109941 O\n0.762147 0.285457 0.687474 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073357105018789,
"density_atomic": 0.06955510273855543,
"volume": 172.5250848252751,
"volume_molar": 8.658086212072888,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
},
{
"id": "jvasp-56727",
"created_at": "2022-09-04T14:38:33.261243Z",
"updated_at": "2022-09-04T14:38:33.261265Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.924524 -0.032399 0.332320\n2.080247 4.463693 0.332320\n0.010071 0.006370 7.829290\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mo\n0.369818 0.369818 0.290115 P\n0.630182 0.630181 0.709886 P\n0.762304 0.285582 0.687424 O\n0.686189 0.686189 0.890076 O\n0.237696 0.714417 0.312576 O\n0.235386 0.235386 0.438280 O\n0.764614 0.764613 0.561720 O\n0.714418 0.237695 0.312576 O\n0.313811 0.313810 0.109925 O\n0.285582 0.762304 0.687424 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.071432403284249,
"density_atomic": 0.0695222372609075,
"volume": 172.6066431804493,
"volume_molar": 8.662179177864665,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423375725,
"spacegroup": 12
},
{
"id": "jvasp-111893",
"created_at": "2022-09-04T14:38:42.379208Z",
"updated_at": "2022-09-04T14:38:42.379237Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.925486 -0.033453 0.304841\n2.081040 4.462733 0.328035\n0.054031 -0.006258 7.827585\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mo\n0.369879 0.369880 0.290101 P\n0.630121 0.630120 0.709898 P\n0.762150 0.285507 0.687452 O\n0.686224 0.686160 0.890097 O\n0.237851 0.714493 0.312547 O\n0.235445 0.235466 0.438352 O\n0.764556 0.764534 0.561647 O\n0.714506 0.237747 0.312523 O\n0.313776 0.313840 0.109901 O\n0.285494 0.762253 0.687476 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073096308088237,
"density_atomic": 0.06955064946897195,
"volume": 172.53613146133824,
"volume_molar": 8.658640582050362,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
},
{
"id": "jvasp-65437",
"created_at": "2022-09-04T14:35:58.762091Z",
"updated_at": "2022-09-04T14:35:58.762122Z",
"structure_string": "Ba1 Mo1 Pt2\n1.0\n3.332613 0.000000 -0.000000\n0.000000 3.332613 0.000000\n0.000000 0.000000 7.727800\nBa Mo Pt\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.680418 Pt\n0.000000 0.000000 0.319582 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Pt"
],
"chemical_system": "Ba-Mo-Pt",
"density": 12.061869784418793,
"density_atomic": 0.04660519713886007,
"volume": 85.82733784135726,
"volume_molar": 12.9216077384182,
"formula_full": "Ba1 Mo1 Pt2",
"formula_reduced": "BaMoPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7126386675000003,
"spacegroup": 123
},
{
"id": "jvasp-66138",
"created_at": "2022-09-04T14:35:52.400445Z",
"updated_at": "2022-09-04T14:35:52.400469Z",
"structure_string": "Ba1 Mo1 Se1\n1.0\n0.000000 3.856151 3.856151\n3.856151 0.000000 3.856151\n3.856151 3.856151 0.000000\nBa Mo Se\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Se"
],
"chemical_system": "Ba-Mo-Se",
"density": 4.520926669356174,
"density_atomic": 0.026159483431518867,
"volume": 114.68116363434683,
"volume_molar": 23.02087033088766,
"formula_full": "Ba1 Mo1 Se1",
"formula_reduced": "BaMoSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.388998412222222,
"spacegroup": 216
},
{
"id": "jvasp-69049",
"created_at": "2022-09-04T14:35:59.020811Z",
"updated_at": "2022-09-04T14:35:59.020839Z",
"structure_string": "Ba1 Mo1 Se4\n1.0\n-0.000000 4.256096 4.256096\n4.256096 -0.000000 4.256096\n4.256096 4.256096 0.000000\nBa Mo Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mo\n0.122415 0.625862 0.625862 Se\n0.625862 0.625862 0.625862 Se\n0.625862 0.122415 0.625862 Se\n0.625862 0.625862 0.122415 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Se"
],
"chemical_system": "Ba-Mo-Se",
"density": 5.913462349503761,
"density_atomic": 0.03891230961540677,
"volume": 154.19285206407758,
"volume_molar": 15.476184321928862,
"formula_full": "Ba1 Mo1 Se4",
"formula_reduced": "BaMoSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.143014222777777,
"spacegroup": 216
},
{
"id": "jvasp-65440",
"created_at": "2022-09-04T14:36:01.271954Z",
"updated_at": "2022-09-04T14:36:01.271982Z",
"structure_string": "Ba1 Mo2 Br1\n1.0\n3.317384 0.000000 0.000000\n0.000000 4.800529 0.000000\n0.000000 0.000000 6.383625\nBa Mo Br\n1 2 1\ndirect\n0.499999 0.500000 0.000000 Ba\n0.000000 0.000000 0.665877 Mo\n0.000000 0.000000 0.334123 Mo\n0.499999 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Br"
],
"chemical_system": "Ba-Br-Mo",
"density": 6.682485792236779,
"density_atomic": 0.03934665172186236,
"volume": 101.66049269644618,
"volume_molar": 15.30534491872377,
"formula_full": "Ba1 Mo2 Br1",
"formula_reduced": "BaMo2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.14770796875,
"spacegroup": 47
},
{
"id": "jvasp-56632",
"created_at": "2022-09-04T14:38:34.231588Z",
"updated_at": "2022-09-04T14:38:34.231602Z",
"structure_string": "Ba1 Mo4 P2 O16\n1.0\n6.590072 -0.000000 -3.630143\n-1.999665 6.279362 -3.630143\n-0.050806 -0.069499 7.704568\nBa Mo P O\n1 4 2 16\ndirect\n0.000000 0.000000 0.000000 Ba\n0.246276 0.491512 0.737789 Mo\n0.753724 0.753724 0.262212 Mo\n0.491512 0.246276 0.737789 Mo\n0.508487 0.508487 0.262212 Mo\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.034754 0.546401 0.841487 O\n0.283634 0.283634 0.825834 O\n0.359597 0.076239 0.435837 O\n0.457801 0.716365 0.174166 O\n0.704915 0.965245 0.158514 O\n0.716365 0.457800 0.174166 O\n0.965245 0.704915 0.158514 O\n0.806730 0.295085 0.841487 O\n0.295085 0.806730 0.841487 O\n0.923761 0.923760 0.564164 O\n0.546401 0.034755 0.841487 O\n0.542199 0.542199 0.825834 O\n0.193269 0.453598 0.158514 O\n0.076239 0.359597 0.435837 O\n0.453598 0.193269 0.158514 O\n0.640402 0.640402 0.564164 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.415941406679505,
"density_atomic": 0.07289994131412829,
"volume": 315.5009398552494,
"volume_molar": 8.26083073791568,
"formula_full": "Ba1 Mo4 P2 O16",
"formula_reduced": "BaMo4(PO8)2",
"formula_anonymous": "AB2C4D16",
"energy_above_hull": 3.6744481117391294,
"spacegroup": 121
},
{
"id": "jvasp-57859",
"created_at": "2022-09-04T14:38:27.468636Z",
"updated_at": "2022-09-04T14:38:27.468658Z",
"structure_string": "Ba1 Mo6 S8\n1.0\n6.692558 -0.033295 0.044660\n0.212413 6.689772 0.037156\n0.134860 0.136755 6.691047\nBa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.565885 0.416932 0.235765 Mo\n0.434115 0.583066 0.764236 Mo\n0.416944 0.235756 0.565847 Mo\n0.583056 0.764242 0.434154 Mo\n0.235812 0.565839 0.416965 Mo\n0.764188 0.434160 0.583036 Mo\n0.251986 0.251859 0.251925 S\n0.748014 0.748140 0.748076 S\n0.391597 0.736367 0.122675 S\n0.608403 0.263631 0.877326 S\n0.736421 0.122631 0.391556 S\n0.263579 0.877367 0.608445 S\n0.122631 0.391602 0.736402 S\n0.877369 0.608397 0.263599 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"S"
],
"chemical_system": "Ba-Mo-S",
"density": 5.374412778308098,
"density_atomic": 0.05007617987321985,
"volume": 299.54361610602456,
"volume_molar": 12.025958799665885,
"formula_full": "Ba1 Mo6 S8",
"formula_reduced": "Ba(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.144002091333334,
"spacegroup": 148
}
]
}