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=-nelements&page=121",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=119",
"results": [
{
"id": "jvasp-21589",
"created_at": "2022-09-04T14:37:05.040906Z",
"updated_at": "2022-09-04T14:37:05.040929Z",
"structure_string": "Ba4 Sc2 Ir2 O12\n1.0\n-0.000000 5.804611 -0.000050\n5.804663 -0.000000 -0.000000\n0.000000 -5.804429 -8.208890\nBa Sc Ir O\n4 2 2 12\ndirect\n0.250001 0.500024 0.749990 Ba\n0.749999 0.499975 0.250010 Ba\n0.749999 0.000024 0.750010 Ba\n0.250001 -0.000024 0.249990 Ba\n0.000000 0.500000 -0.000000 Sc\n-0.000000 -0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.743407 0.256629 0.500007 O\n0.256593 0.756629 -0.000007 O\n0.256596 0.243396 0.999971 O\n0.743404 0.743395 0.500029 O\n0.743404 0.756604 0.000029 O\n0.256644 -0.000010 0.756613 O\n0.743356 0.000010 0.243387 O\n0.256644 0.500010 0.256613 O\n0.743407 0.243371 0.000007 O\n0.743356 0.499989 0.743387 O\n0.256596 0.256604 0.499971 O\n0.256593 0.743371 0.499993 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Sc",
"density": 7.298258351696776,
"density_atomic": 0.07230907114657055,
"volume": 276.5904703638079,
"volume_molar": 8.328333727027298,
"formula_full": "Ba4 Sc2 Ir2 O12",
"formula_reduced": "Ba2ScIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.278112929,
"spacegroup": 225
},
{
"id": "jvasp-57099",
"created_at": "2022-09-04T14:37:10.561827Z",
"updated_at": "2022-09-04T14:37:10.561853Z",
"structure_string": "Yb4 Pr2 Dy2 S12\n1.0\n0.000000 10.862447 -0.016495\n4.099566 0.000000 0.000000\n0.000000 -2.901733 -11.038038\nYb Pr Dy S\n4 2 2 12\ndirect\n0.328417 0.250000 0.414571 Yb\n0.052487 0.250000 0.649413 Yb\n0.947514 0.750001 0.350587 Yb\n0.671583 0.750001 0.585428 Yb\n0.472244 0.250000 0.818042 Pr\n0.527757 0.750001 0.181958 Pr\n0.169735 0.750001 0.030711 Dy\n0.830265 0.250000 0.969289 Dy\n0.272474 0.750001 0.727385 S\n0.700072 0.250000 0.740625 S\n0.950263 0.750001 0.105634 S\n0.049738 0.250000 0.894366 S\n0.299929 0.750001 0.259374 S\n0.403094 0.750001 0.614930 S\n0.596907 0.250000 0.385069 S\n0.629218 0.750001 0.967882 S\n0.099352 0.250000 0.429225 S\n0.370782 0.250000 0.032118 S\n0.900649 0.750001 0.570775 S\n0.727527 0.250000 0.272615 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Pr",
"Dy",
"S"
],
"chemical_system": "Dy-Pr-S-Yb",
"density": 5.6858748936023495,
"density_atomic": 0.0406723458745536,
"volume": 491.7346066461555,
"volume_molar": 14.806475088931899,
"formula_full": "Yb4 Pr2 Dy2 S12",
"formula_reduced": "Yb2PrDyS6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.3500067750000002,
"spacegroup": 11
},
{
"id": "jvasp-100852",
"created_at": "2022-09-04T14:37:04.917433Z",
"updated_at": "2022-09-04T14:37:04.917457Z",
"structure_string": "Ba2 In1 Cu1 O4\n1.0\n4.191335 -0.000000 0.000000\n0.000000 4.191335 0.000000\n-0.000000 -0.000000 8.238499\nBa In Cu O\n2 1 1 4\ndirect\n0.499999 0.499999 0.767429 Ba\n0.499999 0.499999 0.232571 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 Cu\n-0.000000 0.499999 -0.000000 O\n0.499999 0.000000 -0.000000 O\n0.000000 0.000000 0.719580 O\n0.000000 0.000000 0.280420 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"In",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-In-O",
"density": 5.931983078491948,
"density_atomic": 0.055276068415671537,
"volume": 144.72809353662151,
"volume_molar": 10.894661890049763,
"formula_full": "Ba2 In1 Cu1 O4",
"formula_reduced": "Ba2InCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9388445449999998,
"spacegroup": 123
},
{
"id": "jvasp-103944",
"created_at": "2022-09-04T14:36:55.056601Z",
"updated_at": "2022-09-04T14:36:55.056634Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n5.575418 0.098349 -0.810583\n-2.462637 4.841939 -1.604572\n-0.066337 0.151725 5.970902\nZr H C O\n1 6 5 4\ndirect\n0.341591 0.765688 0.681270 Zr\n-0.008127 0.624820 -0.071960 H\n-0.023668 0.091355 0.884031 H\n0.899502 0.287558 0.311015 H\n0.765152 0.465271 0.428874 H\n0.208597 0.909822 0.260510 H\n0.288764 0.163389 0.513278 H\n0.470642 0.466806 0.143329 C\n0.770281 0.062041 0.852200 C\n0.423945 0.570303 0.329697 C\n0.675503 0.239916 0.894249 C\n0.522474 0.377881 0.920603 C\n0.429502 0.448764 0.737049 O\n0.914436 0.415060 0.464374 O\n0.151805 0.785826 0.945417 O\n0.213763 0.959546 0.436215 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.2403177254793687,
"density_atomic": 0.0975336466166806,
"volume": 164.04595290978915,
"volume_molar": 6.174423872069261,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.608107406249999,
"spacegroup": 1
},
{
"id": "jvasp-104768",
"created_at": "2022-09-04T14:37:00.616361Z",
"updated_at": "2022-09-04T14:37:00.616403Z",
"structure_string": "Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"O"
],
"chemical_system": "Al-Cu-In-O",
"density": 5.6148144840481224,
"density_atomic": 0.08787765059160405,
"volume": 79.65620328803817,
"volume_molar": 6.852869551539153,
"formula_full": "Al1 In1 Cu1 O4",
"formula_reduced": "AlInCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4252981742857145,
"spacegroup": 160
},
{
"id": "jvasp-11782",
"created_at": "2022-09-04T14:37:09.984037Z",
"updated_at": "2022-09-04T14:37:09.984062Z",
"structure_string": "Rb4 Li2 V2 O8\n1.0\n5.882140 0.000000 -0.000000\n-2.941070 5.832106 -0.000000\n-0.000000 0.000000 7.906619\nRb Li V O\n4 2 2 8\ndirect\n0.604949 0.209900 0.550221 Rb\n0.395051 0.790101 0.050221 Rb\n0.938152 0.876303 0.408570 Rb\n0.061849 0.123697 0.908570 Rb\n0.799264 0.598527 0.829239 Li\n0.200737 0.401473 0.329239 Li\n0.309741 0.619482 0.611002 V\n0.690260 0.380519 0.111002 V\n0.404392 0.289614 0.218309 O\n0.595609 0.710387 0.718309 O\n0.633626 0.267252 0.908008 O\n0.366374 0.732748 0.408008 O\n0.885222 0.289614 0.218309 O\n0.114778 0.710387 0.718309 O\n0.162306 0.324613 0.577641 O\n0.837695 0.675388 0.077641 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Li",
"V",
"O"
],
"chemical_system": "Li-O-Rb-V",
"density": 3.585270060220261,
"density_atomic": 0.058988642952468695,
"volume": 271.2386520383649,
"volume_molar": 10.208983388298089,
"formula_full": "Rb4 Li2 V2 O8",
"formula_reduced": "Rb2LiVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.562034775,
"spacegroup": 36
},
{
"id": "jvasp-34735",
"created_at": "2022-09-04T14:37:10.819564Z",
"updated_at": "2022-09-04T14:37:10.819585Z",
"structure_string": "Li2 Ca1 Ta2 O7\n1.0\n3.867748 0.017699 -0.801648\n-0.184129 3.863404 -0.801648\n-0.040107 -0.042258 9.536130\nLi Ca Ta O\n2 1 2 7\ndirect\n0.250008 0.749991 0.500000 Li\n0.749992 0.250008 0.500000 Li\n0.000000 0.000000 0.000000 Ca\n0.613278 0.613277 0.226553 Ta\n0.386722 0.386721 0.773447 Ta\n0.100863 0.600857 0.201728 O\n0.282378 0.282378 0.564755 O\n0.399142 0.899136 0.798272 O\n0.899137 0.399142 0.798272 O\n0.717622 0.717621 0.435244 O\n0.600857 0.100863 0.201727 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-Li-O-Ta",
"density": 6.161145802220781,
"density_atomic": 0.08434936657573679,
"volume": 142.2654429683864,
"volume_molar": 7.139521023661459,
"formula_full": "Li2 Ca1 Ta2 O7",
"formula_reduced": "Li2CaTa2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.92835861,
"spacegroup": 139
},
{
"id": "jvasp-104120",
"created_at": "2022-09-04T14:36:53.696214Z",
"updated_at": "2022-09-04T14:36:53.696246Z",
"structure_string": "H6 C11 S2 O1\n1.0\n3.814562 0.015314 0.024982\n1.455455 6.343471 2.066416\n-0.589235 -0.320522 9.595124\nH C S O\n6 11 2 1\ndirect\n0.922187 0.180550 0.200188 H\n0.530109 0.114269 0.807601 H\n0.364536 0.284515 0.528790 H\n0.096522 0.886463 0.177055 H\n0.245620 0.733707 0.974296 H\n0.791522 0.328581 0.404129 H\n0.890045 0.418837 0.310760 C\n0.962800 0.334308 0.196182 C\n0.876590 0.698866 0.434805 C\n0.940489 0.617641 0.307040 C\n0.095236 0.446206 0.077281 C\n0.188834 0.397590 0.837694 C\n0.133315 0.648351 0.066006 C\n0.029749 0.560581 0.573538 C\n0.264215 0.361912 0.609075 C\n0.354906 0.268709 0.757871 C\n0.050540 0.733537 0.180964 C\n0.620324 0.937844 0.415247 S\n0.925468 0.636410 0.731031 S\n0.223898 0.328629 0.983203 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5454284229065924,
"density_atomic": 0.08526808754498191,
"volume": 234.55434003312547,
"volume_molar": 7.062596257741922,
"formula_full": "H6 C11 S2 O1",
"formula_reduced": "H6C11S2O",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 5.5651676750000005,
"spacegroup": 1
},
{
"id": "jvasp-57095",
"created_at": "2022-09-04T14:37:09.949287Z",
"updated_at": "2022-09-04T14:37:09.949319Z",
"structure_string": "K1 Rb2 Fe1 F6\n1.0\n5.352524 -0.000000 3.090281\n1.784175 5.046408 3.090281\n-0.000000 -0.000000 6.180561\nK Rb Fe F\n1 2 1 6\ndirect\n0.499999 0.500000 0.500000 K\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.214976 0.785023 0.785023 F\n0.214976 0.785023 0.214977 F\n0.785022 0.214977 0.785023 F\n0.214977 0.214977 0.785023 F\n0.785022 0.214977 0.214977 F\n0.785021 0.785023 0.214977 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Fe",
"F"
],
"chemical_system": "F-Fe-K-Rb",
"density": 3.778456575238447,
"density_atomic": 0.059900592675969117,
"volume": 166.9432563730174,
"volume_molar": 10.053557888110777,
"formula_full": "K1 Rb2 Fe1 F6",
"formula_reduced": "KRb2FeF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100459",
"created_at": "2022-09-04T14:37:09.276553Z",
"updated_at": "2022-09-04T14:37:09.276858Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905367 0.000000 -0.000000\n0.000000 3.905367 -0.000000\n0.000000 -0.000000 7.802637\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.499999 Ba\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.753789 Mn\n0.500001 0.500001 0.246211 Mn\n0.500001 0.500001 0.000000 O\n0.000000 0.500001 0.773372 O\n0.500001 0.000000 0.773372 O\n0.000000 0.500001 0.226628 O\n0.500001 0.500001 0.499999 O\n0.500001 0.000000 0.226628 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.801527884950886,
"density_atomic": 0.084030102403458,
"volume": 119.00497219420836,
"volume_molar": 7.166646936934089,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650383295275862,
"spacegroup": 123
},
{
"id": "jvasp-9773",
"created_at": "2022-09-04T14:37:09.948761Z",
"updated_at": "2022-09-04T14:37:09.948776Z",
"structure_string": "Na4 Ti2 Ge2 O10\n1.0\n6.707612 0.000000 0.000000\n0.000000 6.707612 -0.000000\n0.000000 0.000000 5.172879\nNa Ti Ge O\n4 2 2 10\ndirect\n0.250000 0.750000 0.000000 Na\n0.250000 0.250000 0.000000 Na\n0.750000 0.250000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.000000 0.500000 0.573853 Ti\n0.500000 0.000000 0.426147 Ti\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.500000 0.283227 0.302850 O\n0.783227 0.000000 0.302850 O\n0.216773 0.000000 0.302850 O\n0.500000 0.716773 0.302850 O\n0.716773 0.500000 0.697150 O\n0.000000 0.216773 0.697150 O\n0.283227 0.500000 0.697150 O\n0.500000 0.000000 0.759819 O\n0.000000 0.783227 0.697150 O\n0.000000 0.500000 0.240181 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"Ti",
"Ge",
"O"
],
"chemical_system": "Ge-Na-O-Ti",
"density": 3.5172142773760533,
"density_atomic": 0.07734002697808408,
"volume": 232.73847583607227,
"volume_molar": 7.786577009737144,
"formula_full": "Na4 Ti2 Ge2 O10",
"formula_reduced": "Na2TiGeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7409177537037035,
"spacegroup": 129
},
{
"id": "jvasp-107633",
"created_at": "2022-09-04T14:36:53.627928Z",
"updated_at": "2022-09-04T14:36:53.627950Z",
"structure_string": "Rb2 Tl1 As1 F6\n1.0\n5.706198 -0.000000 3.294475\n1.902066 5.379855 3.294475\n-0.000000 -0.000000 6.588950\nRb Tl As F\n2 1 1 6\ndirect\n0.750001 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.778629 0.221371 0.221371 F\n0.221371 0.221371 0.778629 F\n0.221371 0.778630 0.778629 F\n0.221371 0.778630 0.221371 F\n0.778629 0.221371 0.778630 F\n0.778630 0.778630 0.221371 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"F"
],
"chemical_system": "As-F-Rb-Tl",
"density": 4.632040618494,
"density_atomic": 0.04943862463226772,
"volume": 202.27099913036773,
"volume_molar": 12.181044284289122,
"formula_full": "Rb2 Tl1 As1 F6",
"formula_reduced": "Rb2TlAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}