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=-volume&page=944",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=942",
"results": [
{
"id": "jvasp-107234",
"created_at": "2022-09-04T14:36:53.409367Z",
"updated_at": "2022-09-04T14:36:53.409389Z",
"structure_string": "Xe4\n1.0\n8.678681 0.032412 0.000000\n-5.582487 6.645027 0.000000\n-0.000000 -0.000000 4.395169\nXe\n4\ndirect\n0.366936 0.633064 0.500185 Xe\n0.866936 0.133063 -0.000185 Xe\n0.133063 0.866937 0.000185 Xe\n0.633063 0.366936 0.499815 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 3.429763251240009,
"density_atomic": 0.01573162093910592,
"volume": 254.26496198219056,
"volume_molar": 38.280484784820004,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy_above_hull": 0.0318800000000001,
"spacegroup": 69
},
{
"id": "jvasp-98647",
"created_at": "2022-09-04T14:36:01.544439Z",
"updated_at": "2022-09-04T14:36:01.544465Z",
"structure_string": "Ca1 V2 P2 H8 O14\n1.0\n6.344425 0.029146 -0.444981\n-0.114503 6.082203 -1.844057\n0.009673 -0.023519 6.594730\nCa V P H O\n1 2 2 8 14\ndirect\n0.535537 0.469472 0.153661 Ca\n0.832043 0.504602 0.705336 V\n0.320025 0.935345 0.519222 V\n0.330342 0.468336 0.623837 P\n0.830378 0.969095 0.607603 P\n0.709269 -0.002777 -0.012156 H\n0.685924 0.064695 0.241597 H\n0.175918 0.182026 0.975046 H\n0.184051 0.252203 0.230986 H\n0.419923 0.910278 0.100900 H\n0.919702 0.716665 0.202054 H\n0.979698 0.470195 0.092458 H\n0.226463 0.741913 0.017627 H\n0.008401 0.891229 0.452247 O\n0.326080 0.806708 0.143227 O\n0.872426 0.585761 0.080786 O\n0.626236 0.934569 0.456748 O\n0.819090 0.834545 0.769467 O\n0.862741 0.209436 0.744395 O\n0.787079 0.444123 0.447844 O\n0.296547 0.231414 0.472247 O\n0.142445 0.546099 0.761734 O\n0.357359 0.610337 0.471747 O\n0.323479 0.009211 0.776478 O\n0.177004 0.308945 0.105063 O\n0.527147 0.488188 0.782679 O\n0.629083 0.089188 0.107465 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Ca",
"V",
"P",
"H",
"O"
],
"chemical_system": "Ca-H-O-P-V",
"density": 2.8473419929513195,
"density_atomic": 0.10619498940193989,
"volume": 254.24928381326046,
"volume_molar": 5.670833241676459,
"formula_full": "Ca1 V2 P2 H8 O14",
"formula_reduced": "CaV2P2(H4O7)2",
"formula_anonymous": "AB2C2D8E14",
"energy_above_hull": 3.183569215555556,
"spacegroup": 1
},
{
"id": "jvasp-12592",
"created_at": "2022-09-04T14:38:14.507598Z",
"updated_at": "2022-09-04T14:38:14.507626Z",
"structure_string": "Ca8 H4 N4\n1.0\n6.158073 -0.000000 3.555365\n2.052691 5.805887 3.555365\n0.000000 0.000000 7.110731\nCa H N\n8 4 4\ndirect\n0.738532 0.738534 0.738532 Ca\n0.261467 0.261467 0.715599 Ca\n0.261466 0.715600 0.261466 Ca\n0.715599 0.261467 0.261466 Ca\n0.738533 0.284401 0.738533 Ca\n0.284400 0.738534 0.738532 Ca\n0.738532 0.738534 0.284400 Ca\n0.261467 0.261467 0.261466 Ca\n-0.000000 0.500000 -0.000000 H\n0.500000 0.000000 -0.000000 H\n-0.000000 -0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.500000 -0.000000 0.500000 N\n-0.000000 0.500000 0.500000 N\n0.500000 0.500000 -0.000001 N\n0.500000 0.500000 0.499999 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"H",
"N"
],
"chemical_system": "Ca-H-N",
"density": 2.4864768338766323,
"density_atomic": 0.06293501229059248,
"volume": 254.2305056861279,
"volume_molar": 9.568824317049017,
"formula_full": "Ca8 H4 N4",
"formula_reduced": "Ca2HN",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4630435224999998,
"spacegroup": 227
},
{
"id": "jvasp-64751",
"created_at": "2022-09-04T14:36:03.532301Z",
"updated_at": "2022-09-04T14:36:03.532326Z",
"structure_string": "Ba4 Te1 Br1\n1.0\n-0.000000 5.027984 5.027984\n5.027984 -0.000000 5.027984\n5.027984 5.027984 -0.000000\nBa Te Br\n4 1 1\ndirect\n0.122571 0.625809 0.625809 Ba\n0.625809 0.625809 0.625809 Ba\n0.625809 0.122571 0.625809 Ba\n0.625809 0.625809 0.122571 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Br"
],
"chemical_system": "Ba-Br-Te",
"density": 4.943396552769408,
"density_atomic": 0.023601499355372767,
"volume": 254.22113695645902,
"volume_molar": 25.515924515317238,
"formula_full": "Ba4 Te1 Br1",
"formula_reduced": "Ba4TeBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0472496516666666,
"spacegroup": 216
},
{
"id": "jvasp-48150",
"created_at": "2022-09-04T14:36:46.395633Z",
"updated_at": "2022-09-04T14:36:46.395648Z",
"structure_string": "Li4 Co2 Si4 O12\n1.0\n2.872880 4.798655 0.114742\n-2.872880 4.798655 -0.114742\n-0.220061 0.000000 9.210230\nLi Co Si O\n4 2 4 12\ndirect\n0.609972 0.725368 0.881381 Li\n0.274633 0.390029 0.381381 Li\n0.725368 0.609972 0.618619 Li\n0.390029 0.274633 0.118619 Li\n0.248874 0.248874 0.750000 Co\n0.751128 0.751128 0.250000 Co\n0.139110 0.794783 0.634252 Si\n0.205218 0.860891 0.134252 Si\n0.794783 0.139110 0.865748 Si\n0.860891 0.205218 0.365748 Si\n0.757644 0.520249 0.412959 O\n0.479752 0.242357 0.912959 O\n0.000000 0.000000 0.000000 O\n0.121942 0.121942 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.371104 0.855303 0.706773 O\n0.520250 0.757644 0.087041 O\n0.242357 0.479751 0.587041 O\n0.144698 0.628897 0.206773 O\n0.855303 0.371104 0.793227 O\n0.878059 0.878059 0.750000 O\n0.628897 0.144698 0.293227 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.939519108496154,
"density_atomic": 0.08655077353254886,
"volume": 254.1860586806487,
"volume_molar": 6.957928293656757,
"formula_full": "Li4 Co2 Si4 O12",
"formula_reduced": "Li2Co(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.5807926454545447,
"spacegroup": 15
},
{
"id": "jvasp-51480",
"created_at": "2022-09-04T14:37:30.396837Z",
"updated_at": "2022-09-04T14:37:30.396847Z",
"structure_string": "V4 O8\n1.0\n0.000000 4.859527 0.109801\n6.652103 0.000000 0.000000\n0.000000 -1.112546 -7.888105\nV O\n4 8\ndirect\n0.654400 0.000000 0.219294 V\n0.345600 0.000000 0.780706 V\n0.000000 0.165164 0.000000 V\n0.000000 0.834835 0.000000 V\n0.268361 0.000000 0.142094 O\n0.731639 0.000000 0.857907 O\n0.226457 0.756802 0.853364 O\n0.773543 0.756802 0.146637 O\n0.773543 0.243198 0.146637 O\n0.226457 0.243198 0.853364 O\n0.269759 0.000000 0.577622 O\n0.730241 0.000000 0.422378 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 2.1673810489435734,
"density_atomic": 0.047210850799208226,
"volume": 254.17885500596088,
"volume_molar": 12.75584035884606,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.006940400000001,
"spacegroup": 10
},
{
"id": "jvasp-106658",
"created_at": "2022-09-04T14:36:45.346106Z",
"updated_at": "2022-09-04T14:36:45.346131Z",
"structure_string": "Ce4 In2 Au4\n1.0\n8.092723 0.000000 0.000000\n0.000000 8.092723 0.000000\n0.000000 0.000000 3.880963\nCe In Au\n4 2 4\ndirect\n0.673464 0.173464 0.500000 Ce\n0.326536 0.826535 0.500000 Ce\n0.173464 0.326536 0.500000 Ce\n0.826535 0.673464 0.500000 Ce\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 -0.000000 In\n0.127454 0.627453 -0.000000 Au\n0.872546 0.372546 -0.000000 Au\n0.627453 0.872546 -0.000000 Au\n0.372546 0.127454 -0.000000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"In",
"Au"
],
"chemical_system": "Au-Ce-In",
"density": 10.309033750927643,
"density_atomic": 0.0393433328160249,
"volume": 254.17267130777765,
"volume_molar": 15.306636039606504,
"formula_full": "Ce4 In2 Au4",
"formula_reduced": "Ce2InAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8552252220000001,
"spacegroup": 127
},
{
"id": "jvasp-13413",
"created_at": "2022-09-04T14:37:11.453397Z",
"updated_at": "2022-09-04T14:37:11.453421Z",
"structure_string": "Th2 Ta4 O14\n1.0\n3.914222 0.000000 0.000000\n-1.957112 7.707225 -0.802993\n0.000000 -0.009571 8.425641\nTh Ta O\n2 4 14\ndirect\n0.313703 0.627406 0.333985 Th\n0.686296 0.372593 0.666015 Th\n0.071708 0.143417 0.365694 Ta\n0.928292 0.856583 0.634306 Ta\n0.109041 0.218083 0.980317 Ta\n0.890958 0.781917 0.019683 Ta\n0.831545 0.663090 0.806719 O\n0.168455 0.336909 0.193281 O\n0.802398 0.604798 0.166173 O\n0.197602 0.395202 0.833827 O\n0.987543 0.975085 0.858888 O\n0.585170 0.170340 0.389483 O\n0.414829 0.829659 0.610517 O\n0.392704 0.785409 0.065706 O\n0.607295 0.214590 0.934294 O\n0.057152 0.114303 0.608545 O\n0.942848 0.885697 0.391456 O\n0.012457 0.024915 0.141112 O\n0.195476 0.390950 0.497029 O\n0.804524 0.609049 0.502971 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Ta",
"O"
],
"chemical_system": "O-Ta-Th",
"density": 9.224555701703157,
"density_atomic": 0.07869279221250756,
"volume": 254.15288284587223,
"volume_molar": 7.65272217528816,
"formula_full": "Th2 Ta4 O14",
"formula_reduced": "ThTa2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.69547685,
"spacegroup": 12
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.8393836025485371,
"density_atomic": 0.07869423182316994,
"volume": 254.14823344284048,
"volume_molar": 7.652582178490624,
"formula_full": "Si4 H16",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.85785172,
"spacegroup": 14
},
{
"id": "jvasp-58898",
"created_at": "2022-09-04T14:37:02.578422Z",
"updated_at": "2022-09-04T14:37:02.578444Z",
"structure_string": "Th2 Ta4 O14\n1.0\n3.914224 0.000000 -0.000000\n-1.957113 7.707038 -0.803075\n-0.000000 -0.009665 8.425601\nTh Ta O\n2 4 14\ndirect\n0.313706 0.627410 0.333985 Th\n0.686294 0.372590 0.666016 Th\n0.071708 0.143418 0.365696 Ta\n0.928292 0.856582 0.634305 Ta\n0.109042 0.218083 0.980314 Ta\n0.890958 0.781917 0.019686 Ta\n0.831542 0.663085 0.806717 O\n0.168458 0.336916 0.193283 O\n0.802398 0.604800 0.166171 O\n0.197602 0.395201 0.833829 O\n0.987544 0.975088 0.858886 O\n0.585173 0.170347 0.389479 O\n0.414827 0.829654 0.610521 O\n0.392707 0.785413 0.065705 O\n0.607293 0.214588 0.934296 O\n0.057151 0.114302 0.608548 O\n0.942849 0.885699 0.391453 O\n0.012456 0.024913 0.141115 O\n0.195477 0.390955 0.497031 O\n0.804523 0.609046 0.502970 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Ta",
"O"
],
"chemical_system": "O-Ta-Th",
"density": 9.224829470990175,
"density_atomic": 0.07869512768212952,
"volume": 254.14534023993582,
"volume_molar": 7.652495062114928,
"formula_full": "Th2 Ta4 O14",
"formula_reduced": "ThTa2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.69547885,
"spacegroup": 12
},
{
"id": "jvasp-44651",
"created_at": "2022-09-04T14:38:05.816051Z",
"updated_at": "2022-09-04T14:38:05.816078Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n0.000000 4.676939 0.036354\n5.647329 0.000000 0.000000\n0.000000 -0.195087 -9.623738\nMn Fe P O\n2 2 4 16\ndirect\n0.567275 0.250000 0.229846 Mn\n0.432725 0.750000 0.770155 Mn\n0.945526 0.250000 0.728145 Fe\n0.054474 0.750000 0.271856 Fe\n0.883362 0.750000 0.584212 P\n0.612822 0.750000 0.091640 P\n0.387177 0.250000 0.908360 P\n0.116638 0.250000 0.415789 P\n0.260646 0.465654 0.339867 O\n0.209659 0.750000 0.607899 O\n0.293886 0.750000 0.115156 O\n0.219682 0.040482 0.832255 O\n0.219682 0.459518 0.832255 O\n0.333794 0.250000 0.064250 O\n0.666206 0.750000 0.935751 O\n0.790341 0.250000 0.392102 O\n0.780318 0.959518 0.167746 O\n0.706114 0.250000 0.884844 O\n0.260646 0.034346 0.339867 O\n0.739353 0.534346 0.660133 O\n0.739353 0.965654 0.660133 O\n0.815510 0.750000 0.428469 O\n0.780318 0.540482 0.167746 O\n0.184490 0.250000 0.571532 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.929792220167712,
"density_atomic": 0.09443458867237116,
"volume": 254.14416833290775,
"volume_molar": 6.377049812641271,
"formula_full": "Mn2 Fe2 P4 O16",
"formula_reduced": "MnFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.1880851451149423,
"spacegroup": 11
},
{
"id": "jvasp-58229",
"created_at": "2022-09-04T14:37:33.660485Z",
"updated_at": "2022-09-04T14:37:33.660505Z",
"structure_string": "Ca1 Mn4 S8\n1.0\n6.014678 -0.004672 4.607798\n2.271912 5.569092 4.607798\n-0.006958 -0.004672 7.576814\nCa Mn S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500001 0.999999 0.500001 Mn\n0.999999 0.500000 0.500001 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.768462 0.261899 0.768462 S\n0.231536 0.231538 0.738102 S\n0.231536 0.738103 0.231537 S\n0.738101 0.231538 0.231538 S\n0.265663 0.265665 0.265664 S\n0.734336 0.734337 0.734336 S\n0.261899 0.768463 0.768462 S\n0.768463 0.768463 0.261899 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"S"
],
"chemical_system": "Ca-Mn-S",
"density": 3.3738760942261456,
"density_atomic": 0.051153935453698146,
"volume": 254.1348946996838,
"volume_molar": 11.772585445455954,
"formula_full": "Ca1 Mn4 S8",
"formula_reduced": "Ca(MnS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.9263384142705573,
"spacegroup": 166
}
]
}