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=density_atomic&page=4417",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4415",
"results": [
{
"id": "jvasp-20846",
"created_at": "2022-09-04T14:38:29.094913Z",
"updated_at": "2022-09-04T14:38:29.094935Z",
"structure_string": "Li12 Ta4 O16\n1.0\n5.720644 -0.004213 -1.934621\n-0.660200 5.682421 -1.934621\n-0.027546 -0.030908 9.314625\nLi Ta O\n12 4 16\ndirect\n0.942962 0.696664 0.137252 Li\n0.057037 0.303336 0.862748 Li\n0.696663 0.942962 0.637251 Li\n0.303336 0.057038 0.362748 Li\n0.805442 0.568586 0.387214 Li\n0.431414 0.194557 0.112786 Li\n0.194557 0.431414 0.612786 Li\n0.568585 0.805443 0.887214 Li\n0.561154 0.359275 0.874894 Li\n0.640724 0.438845 0.625105 Li\n0.438845 0.640725 0.125106 Li\n0.359275 0.561155 0.374894 Li\n0.937813 0.222034 0.124793 Ta\n0.777966 0.062186 0.375207 Ta\n0.222033 0.937814 0.624793 Ta\n0.062185 0.777966 0.875206 Ta\n0.957911 0.709290 0.636203 O\n0.290710 0.042087 0.863796 O\n0.042087 0.290710 0.363797 O\n0.709289 0.957913 0.136203 O\n0.696579 0.424556 0.117874 O\n0.575444 0.303421 0.382126 O\n0.303420 0.575444 0.882125 O\n0.424555 0.696579 0.617874 O\n0.430496 0.180516 0.632176 O\n0.819483 0.569503 0.867824 O\n0.569502 0.819484 0.367824 O\n0.180515 0.430497 0.132176 O\n0.948619 0.167544 0.613855 O\n0.167543 0.948619 0.113855 O\n0.051380 0.832456 0.386145 O\n0.832455 0.051381 0.886144 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Ta",
"density": 5.843716317320339,
"density_atomic": 0.1059318463546118,
"volume": 302.08101813762886,
"volume_molar": 5.684920037965356,
"formula_full": "Li12 Ta4 O16",
"formula_reduced": "Li3TaO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.34520415,
"spacegroup": 15
},
{
"id": "jvasp-112203",
"created_at": "2022-09-04T14:38:46.248353Z",
"updated_at": "2022-09-04T14:38:46.248374Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.887620 0.058396 -0.364266\n-2.156957 5.543989 -1.900549\n0.177452 0.031094 6.216351\nSn H C F\n2 8 4 4\ndirect\n0.322813 0.526485 0.563939 Sn\n0.184552 0.995326 0.052736 Sn\n0.527788 0.700501 0.240342 H\n0.979558 0.821249 0.376293 H\n-0.020499 0.578560 0.135081 H\n0.527880 0.943213 0.481537 H\n0.532008 0.241388 0.703256 H\n-0.018890 0.042235 0.670942 H\n0.975344 0.280383 0.913350 H\n0.526297 0.479528 0.945695 H\n0.111326 0.756979 0.252207 C\n0.396039 0.764794 0.364432 C\n0.395377 0.339569 0.789186 C\n0.112007 0.182207 0.827455 C\n0.530178 0.891015 0.907281 F\n0.514136 0.299969 0.276326 F\n0.977163 0.630773 0.709367 F\n0.993253 0.221814 0.340322 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.611999378155815,
"density_atomic": 0.10595786630876668,
"volume": 169.87884549833302,
"volume_molar": 5.6835239985402985,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.870504696111111,
"spacegroup": 2
},
{
"id": "jvasp-108967",
"created_at": "2022-09-04T14:38:20.057528Z",
"updated_at": "2022-09-04T14:38:20.057538Z",
"structure_string": "Li2 Co1 O2\n1.0\n3.538710 -0.002146 -3.526317\n-0.308312 2.679264 -4.205220\n-0.021962 0.002146 4.995688\nLi Co O\n2 1 2\ndirect\n0.804830 0.304829 0.499999 Li\n0.195171 0.695170 0.500000 Li\n0.500000 0.000000 0.500000 Co\n0.356997 0.356996 -0.000001 O\n0.643003 0.643001 -0.000002 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.6883836317998115,
"density_atomic": 0.1059589676705599,
"volume": 47.188077705189095,
"volume_molar": 5.683464922689329,
"formula_full": "Li2 Co1 O2",
"formula_reduced": "Li2CoO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6884475800000005,
"spacegroup": 71
},
{
"id": "jvasp-97434",
"created_at": "2022-09-04T14:38:11.925573Z",
"updated_at": "2022-09-04T14:38:11.925586Z",
"structure_string": "Li18 Ta6 O24\n1.0\n6.016368 0.000000 0.000000\n0.000000 5.873939 -1.408941\n0.000000 -0.014448 12.821677\nLi Ta O\n18 6 24\ndirect\n0.123037 0.173735 0.091646 Li\n0.119907 0.500000 0.750000 Li\n0.832865 -0.000000 0.250000 Li\n0.880093 0.500000 0.250000 Li\n0.876963 0.173735 0.591646 Li\n0.374512 0.875989 0.917217 Li\n0.391324 -0.000000 0.250000 Li\n0.375129 0.324723 0.924734 Li\n0.375129 0.675277 0.575267 Li\n0.167136 -0.000000 0.750000 Li\n0.624871 0.675277 0.075266 Li\n0.625488 0.124011 0.082783 Li\n0.374512 0.124011 0.582783 Li\n0.608676 -0.000000 0.750000 Li\n0.123037 0.826265 0.408354 Li\n0.624871 0.324723 0.424734 Li\n0.876963 0.826265 0.908354 Li\n0.625488 0.875989 0.417217 Li\n0.589733 0.500000 0.750000 Ta\n0.122951 0.699211 0.083548 Ta\n0.877049 0.300788 0.916452 Ta\n0.410267 0.500000 0.250000 Ta\n0.877049 0.699211 0.583548 Ta\n0.122951 0.300788 0.416452 Ta\n0.885266 0.091836 0.412020 O\n0.112113 0.429032 0.575393 O\n0.114734 0.908164 0.587980 O\n0.640491 0.565185 0.908848 O\n0.887887 0.429032 0.075393 O\n0.860926 0.729649 0.742353 O\n0.114734 0.091836 0.912021 O\n0.615054 0.258567 0.245253 O\n0.139075 0.270350 0.257648 O\n0.112113 0.570967 0.924607 O\n0.384946 0.741433 0.754747 O\n0.615054 0.741433 0.254747 O\n0.638034 0.095370 0.920522 O\n0.359510 0.434815 0.091152 O\n0.361967 0.904630 0.079478 O\n0.887887 0.570967 0.424607 O\n0.139075 0.729649 0.242352 O\n0.640491 0.434815 0.591152 O\n0.885266 0.908164 0.087980 O\n0.359510 0.565185 0.408848 O\n0.638034 0.904629 0.579478 O\n0.384946 0.258567 0.745253 O\n0.361967 0.095370 0.420522 O\n0.860926 0.270350 0.757648 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Ta",
"density": 5.845377504566781,
"density_atomic": 0.10596195949197179,
"volume": 452.9927554202763,
"volume_molar": 5.6833044508357435,
"formula_full": "Li18 Ta6 O24",
"formula_reduced": "Li3TaO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.3418404,
"spacegroup": 13
},
{
"id": "jvasp-40570",
"created_at": "2022-09-04T14:37:44.936324Z",
"updated_at": "2022-09-04T14:37:44.936344Z",
"structure_string": "Sm1 H3\n1.0\n-0.000000 2.662513 2.662513\n2.662513 -0.000000 2.662513\n2.662513 2.662513 0.000000\nSm H\n1 3\ndirect\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.249999 0.249999 0.249999 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"H"
],
"chemical_system": "H-Sm",
"density": 6.747197776998215,
"density_atomic": 0.10596313160719062,
"volume": 37.74897871863728,
"volume_molar": 5.683241584746954,
"formula_full": "Sm1 H3",
"formula_reduced": "SmH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.16252721875,
"spacegroup": 225
},
{
"id": "jvasp-47888",
"created_at": "2022-09-04T14:36:48.699816Z",
"updated_at": "2022-09-04T14:36:48.699838Z",
"structure_string": "Li2 Mn4 O8\n1.0\n2.680792 -3.039689 4.021673\n-2.680792 3.039689 4.021673\n-3.072281 -2.643455 4.021673\nLi Mn O\n2 4 8\ndirect\n0.500000 -0.000001 0.500001 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.499999 0.500000 Mn\n-0.000000 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.242338 0.761525 0.019179 O\n0.240749 0.214194 0.026562 O\n0.240756 0.767310 0.473438 O\n0.219295 0.238483 0.519180 O\n0.780704 0.761515 0.480821 O\n0.759243 0.232688 0.526562 O\n0.759250 0.785804 0.973439 O\n0.757662 0.238474 -0.019179 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.54529319244131,
"density_atomic": 0.10596858467012531,
"volume": 132.11462664695648,
"volume_molar": 5.682949129448706,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.787596926108374,
"spacegroup": 74
},
{
"id": "jvasp-63228",
"created_at": "2022-09-04T14:36:20.429172Z",
"updated_at": "2022-09-04T14:36:20.429196Z",
"structure_string": "B6 Ru4\n1.0\n1.415723 -2.452104 0.000000\n1.415730 2.452108 0.000000\n-0.000000 0.000000 13.591526\nB Ru\n6 4\ndirect\n0.666694 0.333391 0.809497 B\n0.333304 0.666609 0.309497 B\n0.333304 0.666609 0.190503 B\n0.666694 0.333391 0.690503 B\n0.999966 0.999938 0.250000 B\n0.000032 0.000062 0.750000 B\n0.666644 0.333290 0.421054 Ru\n0.333354 0.666710 0.921054 Ru\n0.333354 0.666710 0.578946 Ru\n0.666644 0.333290 0.078946 Ru\n",
"nsites": 10,
"nelements": 2,
"elements": [
"B",
"Ru"
],
"chemical_system": "B-Ru",
"density": 8.255441381216837,
"density_atomic": 0.10597006060117152,
"volume": 94.36627612808451,
"volume_molar": 5.682869978403526,
"formula_full": "B6 Ru4",
"formula_reduced": "B3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.81269775,
"spacegroup": 194
},
{
"id": "jvasp-52269",
"created_at": "2022-09-04T14:38:12.741250Z",
"updated_at": "2022-09-04T14:38:12.741278Z",
"structure_string": "Li6 Cu1 F8\n1.0\n2.974925 4.917766 0.030600\n-2.772649 4.918844 0.000000\n-2.711679 -1.528517 4.988265\nLi Cu F\n6 1 8\ndirect\n0.310682 0.844658 0.467164 Li\n0.000001 0.499999 0.000000 Li\n0.000003 0.999998 -0.000001 Li\n0.500004 0.499997 0.000000 Li\n0.689317 0.155342 0.532834 Li\n0.500004 -0.000002 0.000000 Li\n-0.000000 0.500000 0.499996 Cu\n-0.000818 0.747214 0.265231 F\n0.558668 0.720664 0.817954 F\n0.447961 0.776020 0.224242 F\n-0.000817 0.253603 0.265231 F\n0.000819 0.746397 0.734769 F\n0.552044 0.223978 0.775758 F\n0.441335 0.279332 0.182045 F\n0.000820 0.252782 0.734769 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.01703564761435,
"density_atomic": 0.10597092345869985,
"volume": 141.54826164033537,
"volume_molar": 5.682823706209387,
"formula_full": "Li6 Cu1 F8",
"formula_reduced": "Li6CuF8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 0.1866034275,
"spacegroup": 12
},
{
"id": "jvasp-116899",
"created_at": "2022-09-04T14:38:46.826562Z",
"updated_at": "2022-09-04T14:38:46.826590Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n7.688973 0.000000 0.000000\n-0.000000 4.692435 2.539107\n-0.000000 0.062991 5.788025\nLi Fe B O\n4 2 4 12\ndirect\n0.435970 0.608195 0.199274 Li\n0.935970 0.391806 0.300726 Li\n0.064030 0.608195 0.699274 Li\n0.564030 0.391806 0.800725 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.258446 0.120674 0.131590 B\n0.758445 0.879327 0.368409 B\n0.241554 0.120674 0.631590 B\n0.741554 0.879327 0.868409 B\n0.265219 0.877251 0.604705 O\n0.765219 0.122750 0.895294 O\n0.081150 0.224597 0.653920 O\n0.395053 0.273151 0.586264 O\n0.604947 0.726850 0.413735 O\n0.104947 0.273151 0.086264 O\n0.234781 0.877251 0.104705 O\n0.734781 0.122750 0.395294 O\n0.418850 0.224597 0.153920 O\n0.581150 0.775404 0.846079 O\n0.918850 0.775404 0.346079 O\n0.895053 0.726850 0.913735 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.9970237516563216,
"density_atomic": 0.10597190424612674,
"volume": 207.60219566219692,
"volume_molar": 5.682771110740052,
"formula_full": "Li4 Fe2 B4 O12",
"formula_reduced": "Li2Fe(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9102110606060605,
"spacegroup": 14
},
{
"id": "jvasp-21529",
"created_at": "2022-09-04T14:35:40.982895Z",
"updated_at": "2022-09-04T14:35:40.982921Z",
"structure_string": "Mg6 B4 O12\n1.0\n4.530278 0.000000 0.000000\n0.000000 5.418218 0.000000\n0.000000 0.000000 8.457302\nMg B O\n6 4 12\ndirect\n0.000000 0.500000 0.813214 Mg\n0.500000 0.000000 0.686786 Mg\n0.000000 0.500000 0.186786 Mg\n0.500000 0.000000 0.313214 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.045632 0.243948 0.500000 B\n0.454368 0.743948 0.000000 B\n0.954368 0.756052 0.500000 B\n0.545632 0.256052 0.000000 B\n0.749438 0.679044 0.000000 O\n0.249438 0.820956 0.500000 O\n0.750562 0.179044 0.500000 O\n0.250562 0.320956 0.000000 O\n0.201547 0.295542 0.639072 O\n0.298453 0.795542 0.139072 O\n0.701547 0.204458 0.860928 O\n0.298453 0.795542 0.860928 O\n0.798453 0.704458 0.360928 O\n0.701547 0.204458 0.139072 O\n0.798453 0.704458 0.639072 O\n0.201547 0.295542 0.360928 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 3.0481549733805364,
"density_atomic": 0.10597648572779761,
"volume": 207.59322078774503,
"volume_molar": 5.682525438207084,
"formula_full": "Mg6 B4 O12",
"formula_reduced": "Mg3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.031876665151515,
"spacegroup": 58
},
{
"id": "jvasp-114513",
"created_at": "2022-09-04T14:38:41.437323Z",
"updated_at": "2022-09-04T14:38:41.437346Z",
"structure_string": "Ti1 B1 O4\n1.0\n2.519092 -3.321748 0.000000\n2.519092 3.321748 0.000000\n0.000000 0.000000 3.382838\nTi B O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 B\n0.260317 0.260317 0.000000 O\n0.219716 0.780284 0.500000 O\n0.780284 0.219716 0.500000 O\n0.739683 0.739683 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"B",
"O"
],
"chemical_system": "B-O-Ti",
"density": 3.59820067945896,
"density_atomic": 0.10598132464117296,
"volume": 56.6137479439377,
"volume_molar": 5.682265984492558,
"formula_full": "Ti1 B1 O4",
"formula_reduced": "TiBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.984849152777778,
"spacegroup": 65
},
{
"id": "jvasp-42156",
"created_at": "2022-09-04T14:36:04.521850Z",
"updated_at": "2022-09-04T14:36:04.521871Z",
"structure_string": "Li4 Fe3 Sb1 O8\n1.0\n5.951476 0.028994 -0.009185\n2.950243 5.168802 -0.009094\n2.903541 1.695411 4.915005\nLi Fe Sb O\n4 3 1 8\ndirect\n0.500001 0.499994 0.500003 Li\n-0.000004 0.500003 0.999999 Li\n-0.000004 -0.000006 0.500006 Li\n0.499997 0.000002 0.000003 Li\n0.500001 -0.000005 0.500004 Fe\n0.500000 0.500003 -0.000003 Fe\n0.000006 0.499997 0.499996 Fe\n-0.000000 0.000005 -0.000003 Sb\n0.736299 0.736292 0.752191 O\n0.252877 0.748812 0.231631 O\n0.237916 0.237914 0.763613 O\n0.263710 0.263707 0.247803 O\n0.748809 0.252878 0.231633 O\n0.747125 0.251191 0.768364 O\n0.762086 0.762084 0.236386 O\n0.251188 0.747125 0.768365 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb",
"density": 4.895603818775587,
"density_atomic": 0.10598984235914986,
"volume": 150.95786203534018,
"volume_molar": 5.681809337534242,
"formula_full": "Li4 Fe3 Sb1 O8",
"formula_reduced": "Li4Fe3SbO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.5454831625,
"spacegroup": 12
}
]
}