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=396",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=394",
"results": [
{
"id": "jvasp-86430",
"created_at": "2022-09-04T14:36:07.777686Z",
"updated_at": "2022-09-04T14:36:07.777714Z",
"structure_string": "Ba1 Mo6 S8\n1.0\n6.691086 0.013752 0.164597\n0.160935 6.689164 0.164597\n0.014058 0.013752 6.693096\nBa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.434145 0.764232 0.583056 Mo\n0.764233 0.583054 0.434146 Mo\n0.583055 0.434145 0.764234 Mo\n0.565855 0.235767 0.416945 Mo\n0.235767 0.416944 0.565855 Mo\n0.416945 0.565854 0.235768 Mo\n0.748086 0.748085 0.748087 S\n0.251914 0.251914 0.251915 S\n0.608412 0.877350 0.263604 S\n0.877351 0.263603 0.608413 S\n0.263603 0.608412 0.877352 S\n0.391588 0.122649 0.736397 S\n0.122649 0.736396 0.391588 S\n0.736397 0.391587 0.122650 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"S"
],
"chemical_system": "Ba-Mo-S",
"density": 5.3747823124508125,
"density_atomic": 0.050079623013701086,
"volume": 299.5230214871268,
"volume_molar": 12.025131975039882,
"formula_full": "Ba1 Mo6 S8",
"formula_reduced": "Ba(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.144000758000001,
"spacegroup": 148
},
{
"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
},
{
"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-69075",
"created_at": "2022-09-04T14:36:15.102193Z",
"updated_at": "2022-09-04T14:36:15.102207Z",
"structure_string": "Ba1 Mo1 Br2\n1.0\n5.226983 0.000000 0.000000\n0.000000 5.226983 -0.000000\n0.000000 0.000000 4.233992\nBa Mo Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Br"
],
"chemical_system": "Ba-Br-Mo",
"density": 5.642509672416649,
"density_atomic": 0.03457863003111091,
"volume": 115.67838275840136,
"volume_molar": 17.415787596506252,
"formula_full": "Ba1 Mo1 Br2",
"formula_reduced": "BaMoBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3364800200000002,
"spacegroup": 123
},
{
"id": "jvasp-66197",
"created_at": "2022-09-04T14:35:40.802811Z",
"updated_at": "2022-09-04T14:35:40.802831Z",
"structure_string": "Ba1 Mo1 Cl1\n1.0\n-0.000000 3.960112 3.960112\n3.960112 -0.000000 3.960112\n3.960112 3.960112 0.000000\nBa Mo Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Cl"
],
"chemical_system": "Ba-Cl-Mo",
"density": 3.5924992500898925,
"density_atomic": 0.024152876047609635,
"volume": 124.20881033324827,
"volume_molar": 24.93343131529879,
"formula_full": "Ba1 Mo1 Cl1",
"formula_reduced": "BaMoCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.952871979166666,
"spacegroup": 216
},
{
"id": "jvasp-65334",
"created_at": "2022-09-04T14:36:21.133101Z",
"updated_at": "2022-09-04T14:36:21.133119Z",
"structure_string": "Ba1 Mo1 Ir2\n1.0\n3.345045 0.000000 -0.000000\n0.000000 3.345045 0.000000\n-0.000000 -0.000000 7.729507\nBa Mo Ir\n1 1 2\ndirect\n0.499999 0.499999 0.767133 Ba\n0.000000 0.000000 0.399795 Mo\n0.000000 0.000000 0.065624 Ir\n0.499999 0.499999 0.267448 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Ir"
],
"chemical_system": "Ba-Ir-Mo",
"density": 11.85964468830319,
"density_atomic": 0.04624920451883971,
"volume": 86.4879740444096,
"volume_molar": 13.021068843566528,
"formula_full": "Ba1 Mo1 Ir2",
"formula_reduced": "BaMoIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8605410175,
"spacegroup": 99
},
{
"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-98471",
"created_at": "2022-09-04T14:35:43.185293Z",
"updated_at": "2022-09-04T14:35:43.185320Z",
"structure_string": "Ba2 Mo2 O8\n1.0\n5.626140 -0.000000 -0.000000\n0.000000 5.626140 0.000000\n-2.813070 -2.813070 6.423437\nBa Mo O\n2 2 8\ndirect\n0.125000 0.375000 0.250000 Ba\n0.875000 0.625000 0.750000 Ba\n0.625000 0.875000 0.250000 Mo\n0.375000 0.125000 0.750000 Mo\n0.781076 0.918053 0.095108 O\n0.314032 0.677055 0.095108 O\n0.418053 0.814032 0.595108 O\n0.177055 0.281076 0.595108 O\n0.218924 0.081947 0.904892 O\n0.685968 0.322945 0.904892 O\n0.581947 0.185968 0.404892 O\n0.822945 0.718924 0.404892 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 4.855497650884848,
"density_atomic": 0.05901911695556642,
"volume": 203.32395025554874,
"volume_molar": 10.20371206931794,
"formula_full": "Ba2 Mo2 O8",
"formula_reduced": "BaMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3814993116666665,
"spacegroup": 88
},
{
"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-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
}
]
}