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&page=267",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=265",
"results": [
{
"id": "jvasp-25102",
"created_at": "2022-09-04T14:37:38.196752Z",
"updated_at": "2022-09-04T14:37:38.196760Z",
"structure_string": "F4\n1.0\n2.549371 -0.136896 1.680471\n2.549371 -0.136896 -1.680471\n0.319954 6.432201 0.000000\nF\n4\ndirect\n0.899651 0.600889 0.098426 F\n0.399110 0.100348 0.401572 F\n0.100348 0.399110 0.901572 F\n0.600889 0.899651 0.598426 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.2835684669640783,
"density_atomic": 0.0723848767874738,
"volume": 55.26016175649829,
"volume_molar": 8.31961181295004,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy_above_hull": 0.0008302825,
"spacegroup": 64
},
{
"id": "jvasp-55712",
"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"H",
"Br",
"O"
],
"chemical_system": "Br-Ca-H-O",
"density": 2.283582096585659,
"density_atomic": 0.09377079188840912,
"volume": 223.9503322632789,
"volume_molar": 6.422192495896357,
"formula_full": "Ca1 H12 Br2 O6",
"formula_reduced": "CaH12(BrO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.642868553809524,
"spacegroup": 150
},
{
"id": "jvasp-102439",
"created_at": "2022-09-04T14:36:40.924240Z",
"updated_at": "2022-09-04T14:36:40.924271Z",
"structure_string": "Li1 H1 F2\n1.0\n2.575374 -0.007995 1.456994\n0.863951 2.426150 1.456994\n0.036670 0.025782 5.371707\nLi H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 -0.000000 0.500000 H\n0.812522 0.812525 0.758860 F\n0.187476 0.187476 0.241139 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"H",
"F"
],
"chemical_system": "F-H-Li",
"density": 2.283828319973985,
"density_atomic": 0.11973718306433331,
"volume": 33.40649827924254,
"volume_molar": 5.0294658734074105,
"formula_full": "Li1 H1 F2",
"formula_reduced": "LiHF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.13477264125,
"spacegroup": 12
},
{
"id": "jvasp-55019",
"created_at": "2022-09-04T14:37:40.765957Z",
"updated_at": "2022-09-04T14:37:40.765969Z",
"structure_string": "Na4 Li2 N2\n1.0\n4.009485 0.000000 -0.000000\n-0.000000 4.009485 0.000000\n0.000000 0.000000 6.053875\nNa Li N\n4 2 2\ndirect\n0.499999 0.000000 0.202054 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.499999 0.797945 Na\n0.499999 0.499999 0.500000 Na\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.000000 0.791803 N\n0.000000 0.499999 0.208196 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 2.283869915744299,
"density_atomic": 0.08220142597136626,
"volume": 97.32191267322649,
"volume_molar": 7.326078214382473,
"formula_full": "Na4 Li2 N2",
"formula_reduced": "Na2LiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1368053125,
"spacegroup": 129
},
{
"id": "jvasp-118102",
"created_at": "2022-09-04T14:38:50.661145Z",
"updated_at": "2022-09-04T14:38:50.661172Z",
"structure_string": "Cl2 O1\n1.0\n4.074499 0.000000 0.007401\n0.000000 3.172798 0.000000\n-0.007528 0.000000 4.887110\nCl O\n2 1\ndirect\n0.057161 0.000000 -0.033229 Cl\n-0.087305 0.000000 0.466656 Cl\n0.430144 0.000000 -0.033427 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.2841566878434953,
"density_atomic": 0.04748443628419818,
"volume": 63.178595657001345,
"volume_molar": 12.68234653551956,
"formula_full": "Cl2 O1",
"formula_reduced": "Cl2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9008838783333336,
"spacegroup": 25
},
{
"id": "jvasp-24337",
"created_at": "2022-09-04T14:38:10.299391Z",
"updated_at": "2022-09-04T14:38:10.299421Z",
"structure_string": "Na9 Li9 C9 O27\n1.0\n7.203083 -12.476105 0.000000\n7.203083 12.476104 -0.000000\n-0.000000 -0.000000 3.274060\nNa Li C O\n9 9 9 27\ndirect\n0.094324 0.870216 0.500000 Na\n0.426815 0.547445 0.500000 Na\n0.805775 0.549042 0.500000 Na\n0.775891 0.905676 0.500000 Na\n0.129783 0.224108 0.500000 Na\n0.452554 0.879369 0.500000 Na\n0.450957 0.256732 0.500000 Na\n0.743267 0.194224 0.500000 Na\n0.120631 0.573185 0.500000 Na\n0.579535 0.475287 0.000000 Li\n0.179606 0.430922 0.000000 Li\n0.875678 0.772589 0.000000 Li\n0.569077 0.748683 0.000000 Li\n0.524713 0.104248 0.000000 Li\n0.895751 0.420464 0.000000 Li\n0.896911 0.124321 0.000000 Li\n0.251316 0.820394 0.000000 Li\n0.227411 0.103088 0.000000 Li\n0.654759 0.991311 0.000000 C\n0.666667 0.333333 0.000000 C\n0.336551 0.345240 0.000000 C\n0.681828 0.668232 0.500000 C\n0.333333 0.666667 0.000000 C\n0.986403 0.318172 0.500000 C\n0.008689 0.663448 0.000000 C\n0.331768 0.013596 0.500000 C\n0.000000 0.000000 0.000000 C\n0.088453 0.091732 0.000000 O\n0.087954 0.389020 0.500000 O\n0.433376 0.084385 0.500000 O\n0.419562 0.659860 0.000000 O\n0.651008 0.566624 0.500000 O\n0.249580 0.351233 0.000000 O\n0.747502 0.077909 0.000000 O\n0.908267 0.996719 0.000000 O\n0.956619 0.216789 0.500000 O\n0.761845 0.417093 0.000000 O\n0.003280 0.911547 0.000000 O\n0.330407 0.252498 0.000000 O\n0.655248 0.238154 0.000000 O\n0.648767 0.898347 0.000000 O\n0.610980 0.698933 0.500000 O\n0.301066 0.912046 0.500000 O\n0.915615 0.348991 0.500000 O\n0.783211 0.739831 0.500000 O\n0.260169 0.043380 0.500000 O\n0.922091 0.669593 0.000000 O\n0.002864 0.570471 0.000000 O\n0.340139 0.759702 0.000000 O\n0.582906 0.344752 0.000000 O\n0.101652 0.750419 0.000000 O\n0.567608 0.997136 0.000000 O\n0.240298 0.580437 0.000000 O\n0.429528 0.432392 0.000000 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Na",
"Li",
"C",
"O"
],
"chemical_system": "C-Li-Na-O",
"density": 2.2841721953565197,
"density_atomic": 0.0917655574812816,
"volume": 588.4560774451238,
"volume_molar": 6.562528387874068,
"formula_full": "Na9 Li9 C9 O27",
"formula_reduced": "NaLiCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.1252899166666666,
"spacegroup": 174
},
{
"id": "jvasp-25204",
"created_at": "2022-09-04T14:38:30.096638Z",
"updated_at": "2022-09-04T14:38:30.096658Z",
"structure_string": "F4\n1.0\n3.051819 0.121860 0.009089\n-1.343337 2.742971 -0.009089\n-0.005312 0.003167 6.472947\nF\n4\ndirect\n0.900678 0.401117 0.598548 F\n0.401117 0.900678 0.901453 F\n0.099322 0.598883 0.401453 F\n0.598883 0.099322 0.098548 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.284188058737723,
"density_atomic": 0.07240451669529466,
"volume": 55.24517229820757,
"volume_molar": 8.317355097256467,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy_above_hull": 0.0019202824999999,
"spacegroup": 64
},
{
"id": "jvasp-115367",
"created_at": "2022-09-04T14:38:43.660322Z",
"updated_at": "2022-09-04T14:38:43.660343Z",
"structure_string": "Ti1 P1 S4\n1.0\n-2.966655 2.747172 4.618031\n2.966655 -2.747172 4.618031\n2.966655 2.747172 -4.618031\nTi P S\n1 1 4\ndirect\n-0.000000 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 P\n0.661393 0.651764 0.560497 S\n0.338607 0.899104 -0.009628 S\n0.908733 0.348236 0.009629 S\n0.091267 0.100898 0.439505 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"P",
"S"
],
"chemical_system": "P-S-Ti",
"density": 2.284341678304194,
"density_atomic": 0.03985488127398534,
"volume": 150.54617673435166,
"volume_molar": 15.110171119568381,
"formula_full": "Ti1 P1 S4",
"formula_reduced": "TiPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.555722305555556,
"spacegroup": 23
},
{
"id": "jvasp-48541",
"created_at": "2022-09-04T14:36:47.113836Z",
"updated_at": "2022-09-04T14:36:47.113846Z",
"structure_string": "Li8 V2 O8 F2\n1.0\n0.000000 5.125517 0.050415\n9.378870 0.000000 0.000000\n0.000000 -2.538889 -4.914911\nLi V O F\n8 2 8 2\ndirect\n0.574671 0.522313 0.848659 Li\n0.424709 0.741961 0.495642 Li\n0.194527 0.502299 0.301509 Li\n0.246363 0.035457 0.598013 Li\n0.753637 0.535457 0.401986 Li\n0.805473 0.002299 0.698489 Li\n0.575291 0.241961 0.504356 Li\n0.425329 0.022313 0.151340 Li\n0.132842 0.719126 0.855768 V\n0.867158 0.219126 0.144231 V\n0.613487 0.143428 0.835988 O\n0.787551 0.688416 0.815684 O\n0.159003 0.627765 0.590883 O\n0.178906 0.902914 0.837783 O\n0.821093 0.402914 0.162215 O\n0.840997 0.127765 0.409116 O\n0.212449 0.188416 0.184315 O\n0.386512 0.643428 0.164011 O\n0.557017 0.428058 0.548339 F\n0.442983 0.928058 0.451660 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.2845547898277343,
"density_atomic": 0.08508214364595514,
"volume": 235.06694992575936,
"volume_molar": 7.078031302383973,
"formula_full": "Li8 V2 O8 F2",
"formula_reduced": "Li4VO4F",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.7316318482500002,
"spacegroup": 4
},
{
"id": "jvasp-25116",
"created_at": "2022-09-04T14:38:00.684951Z",
"updated_at": "2022-09-04T14:38:00.684976Z",
"structure_string": "C4\n1.0\n2.059067 2.059067 2.059067\n2.059067 -2.059067 -2.059067\n-2.059067 2.059067 -2.059067\nC\n4\ndirect\n0.250000 0.750001 0.250000 C\n0.000000 0.750001 0.500001 C\n0.500001 0.500001 0.250000 C\n0.250000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.284577955209446,
"density_atomic": 0.11454827802058788,
"volume": 34.919774169639425,
"volume_molar": 5.257294883924518,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 1.29657,
"spacegroup": 214
},
{
"id": "jvasp-69262",
"created_at": "2022-09-04T14:36:18.669554Z",
"updated_at": "2022-09-04T14:36:18.669575Z",
"structure_string": "K2 Ba1 Mn1\n1.0\n4.190889 -0.000000 0.000000\n-0.000000 4.190889 0.000000\n-0.000000 -0.000000 11.192569\nK Ba Mn\n2 1 1\ndirect\n0.000000 0.000000 -0.008076 K\n0.500000 0.500000 0.314271 K\n0.500000 0.500000 0.677020 Ba\n0.000000 0.000000 0.516786 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mn"
],
"chemical_system": "Ba-K-Mn",
"density": 2.28461322105873,
"density_atomic": 0.020347820341220263,
"volume": 196.58125209100993,
"volume_molar": 29.595999271727653,
"formula_full": "K2 Ba1 Mn1",
"formula_reduced": "K2BaMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6586623028448275,
"spacegroup": 99
},
{
"id": "jvasp-112229",
"created_at": "2022-09-04T14:38:47.096501Z",
"updated_at": "2022-09-04T14:38:47.096531Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.315193 0.023491 -0.170052\n-1.674441 4.316298 -0.420864\n-0.307325 -0.007545 18.768178\nSn H C F\n2 24 12 4\ndirect\n0.409675 0.803358 0.471347 Sn\n0.980377 0.807029 0.962030 Sn\n0.036646 0.516338 0.072399 H\n0.724720 0.677027 0.087815 H\n0.145659 0.187259 0.131784 H\n0.471192 0.082954 0.099262 H\n0.836617 0.750143 0.610788 H\n0.778067 0.244240 0.567653 H\n0.366297 0.117826 0.593599 H\n0.679961 0.190083 0.722378 H\n0.060370 0.262927 0.684467 H\n0.096688 0.778102 0.735644 H\n0.149122 0.098708 0.798606 H\n0.448965 0.669723 0.645998 H\n0.398313 0.700071 0.187595 H\n0.057585 0.782375 0.218889 H\n0.820591 0.227354 0.353606 H\n0.762822 0.867782 0.304541 H\n0.192122 0.018903 0.367485 H\n0.500244 0.545269 0.762252 H\n0.183443 0.646881 0.334332 H\n0.557052 0.864118 0.825563 H\n0.005274 0.478348 0.840634 H\n0.603766 0.355588 0.871921 H\n0.762933 0.264923 0.224323 H\n0.424053 0.319400 0.264600 H\n0.845455 0.076707 0.700849 C\n0.234092 -0.007327 0.123530 C\n0.566835 0.040044 0.577600 C\n0.668676 0.859462 0.632865 C\n0.979766 0.728796 0.073216 C\n0.965185 0.921114 0.759849 C\n0.686980 0.721508 0.800872 C\n0.638404 0.030424 0.319290 C\n0.536771 0.145204 0.250339 C\n0.806191 0.556117 0.857338 C\n0.343292 0.874952 0.360824 C\n0.297031 0.886495 0.196379 C\n0.505696 0.900175 0.962414 F\n0.871503 0.708772 0.468859 F\n0.232978 0.343503 0.478488 F\n0.146915 0.269670 0.958255 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.285076804352849,
"density_atomic": 0.11997616679640338,
"volume": 350.0695273193131,
"volume_molar": 5.019447545960879,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036221536428572,
"spacegroup": 1
}
]
}