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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=566",
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"results": [
{
"id": "jvasp-56854",
"created_at": "2022-09-04T14:37:55.019276Z",
"updated_at": "2022-09-04T14:37:55.019301Z",
"structure_string": "Rb2 Li1 Dy1 Br6\n1.0\n6.676258 -0.000000 -3.820785\n-2.186613 6.308023 -3.820785\n-0.029230 -0.041068 7.692206\nRb Li Dy Br\n2 1 1 6\ndirect\n0.750000 0.250000 0.500001 Rb\n0.250000 0.750000 0.500001 Rb\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Dy\n0.254107 0.745893 0.000001 Br\n0.254107 0.254107 0.508213 Br\n0.745894 0.745893 0.000001 Br\n0.254107 0.254106 0.000000 Br\n0.745893 0.745893 0.491788 Br\n0.745894 0.254106 0.000001 Br\n",
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{
"id": "jvasp-23872",
"created_at": "2022-09-04T14:37:39.522996Z",
"updated_at": "2022-09-04T14:37:39.523024Z",
"structure_string": "Nb4 Se4 I4\n1.0\n6.661674 -0.000000 3.846119\n2.220558 6.280687 3.846119\n0.000000 0.000000 7.692239\nNb Se I\n4 4 4\ndirect\n0.401500 0.401501 0.401501 Nb\n0.795498 0.401501 0.401501 Nb\n0.401500 0.401501 0.795499 Nb\n0.401500 0.795499 0.401500 Nb\n0.102793 0.632402 0.632402 Se\n0.632402 0.102793 0.632402 Se\n0.632402 0.632402 0.102793 Se\n0.632402 0.632402 0.632402 Se\n0.126482 0.126482 0.126482 I\n0.126482 0.126482 0.620555 I\n0.620554 0.126482 0.126482 I\n0.126482 0.620555 0.126482 I\n",
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"spacegroup": 216
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{
"id": "jvasp-30622",
"created_at": "2022-09-04T14:37:15.385888Z",
"updated_at": "2022-09-04T14:37:15.385897Z",
"structure_string": "V4 Zn2 S10\n1.0\n0.000000 6.303409 -0.002095\n3.654810 0.000000 0.000000\n0.000000 -0.009707 -13.969567\nV Zn S\n4 2 10\ndirect\n0.523843 0.500000 0.905507 V\n0.476235 0.000000 0.094510 V\n0.476168 0.000000 0.405586 V\n0.523748 0.500000 0.594425 V\n-0.138920 0.000000 0.750019 Zn\n0.138923 0.500000 0.249952 Zn\n0.581902 0.000000 0.250033 S\n0.418106 0.500000 0.749982 S\n0.323295 0.000000 0.936058 S\n0.676788 0.500000 0.063953 S\n0.323146 0.000000 0.563922 S\n0.676773 0.500000 0.436091 S\n0.870890 0.500000 0.636757 S\n0.129055 0.000000 0.363224 S\n0.129085 0.000000 0.136671 S\n0.870961 0.500000 0.863312 S\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.04971605335355654,
"volume": 321.8276375684074,
"volume_molar": 12.113070836845084,
"formula_full": "V4 Zn2 S10",
"formula_reduced": "V2ZnS5",
"formula_anonymous": "AB2C5",
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"spacegroup": 59
},
{
"id": "jvasp-27023",
"created_at": "2022-09-04T14:38:36.357311Z",
"updated_at": "2022-09-04T14:38:36.357337Z",
"structure_string": "Y4 Ga12 Pt1\n1.0\n7.049162 -0.000000 -2.492255\n-3.524580 6.104753 -2.492255\n0.000000 0.000000 7.476765\nY Ga Pt\n4 12 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.500000 0.000000 -0.000000 Y\n-0.000000 0.500000 -0.000000 Y\n-0.000000 -0.000000 0.500000 Y\n0.500000 0.250000 0.750000 Ga\n0.500000 0.750000 0.249999 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.499999 Ga\n0.702428 0.000000 0.702428 Ga\n0.297572 0.297572 -0.000000 Ga\n0.750000 0.500000 0.249999 Ga\n-0.000000 0.297572 0.297572 Ga\n-0.000000 0.702427 0.702428 Ga\n0.297572 0.000000 0.297572 Ga\n0.702427 0.702427 -0.000001 Ga\n0.250000 0.500000 0.750000 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 17,
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"elements": [
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],
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"density": 7.160218449404195,
"density_atomic": 0.05283595995328754,
"volume": 321.7505656191306,
"volume_molar": 11.397807033929535,
"formula_full": "Y4 Ga12 Pt1",
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"formula_anonymous": "AB4C12",
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"spacegroup": 229
},
{
"id": "jvasp-112969",
"created_at": "2022-09-04T14:38:45.569981Z",
"updated_at": "2022-09-04T14:38:45.569999Z",
"structure_string": "Hg2 P4 Pd4 O16\n1.0\n8.536299 0.006038 4.878380\n6.432556 5.613436 1.838143\n-0.001173 0.003126 6.716523\nHg P Pd O\n2 4 4 16\ndirect\n0.750000 0.750001 0.749999 Hg\n0.500000 0.500001 0.500000 Hg\n0.955033 0.955035 0.544966 P\n0.544966 0.544968 0.955033 P\n0.294966 0.294967 0.705033 P\n0.705033 0.705035 0.294966 P\n0.625000 0.125000 0.125000 Pd\n0.125000 0.125000 0.125000 Pd\n0.125000 0.625001 0.125000 Pd\n0.125000 0.125001 0.625000 Pd\n0.123852 0.897828 0.600706 O\n0.872386 0.649295 0.352172 O\n0.126147 0.352174 0.649293 O\n0.897827 0.123853 0.377614 O\n0.600706 0.377614 0.123852 O\n0.377614 0.600708 0.897826 O\n0.171419 0.532708 0.824589 O\n0.778717 0.425411 0.717292 O\n0.824589 0.471284 0.171419 O\n0.532707 0.171420 0.471283 O\n0.078581 0.717294 0.425410 O\n0.649293 0.872387 0.126147 O\n0.425410 0.778718 0.078580 O\n0.717292 0.078582 0.778717 O\n0.471282 0.824591 0.532707 O\n0.352173 0.126148 0.872386 O\n",
"nsites": 26,
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"elements": [
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"Pd",
"O"
],
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"density": 6.229661372763813,
"density_atomic": 0.08083008239024768,
"volume": 321.6624211079235,
"volume_molar": 7.450370681208886,
"formula_full": "Hg2 P4 Pd4 O16",
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"spacegroup": 70
},
{
"id": "jvasp-30599",
"created_at": "2022-09-04T14:37:29.699426Z",
"updated_at": "2022-09-04T14:37:29.699445Z",
"structure_string": "Mo6 O18\n1.0\n5.957031 0.000000 -0.000000\n-2.978516 5.158940 0.000000\n0.000000 -0.000000 10.465759\nMo O\n6 18\ndirect\n0.674635 -0.000000 0.479166 Mo\n0.674634 0.674635 0.979166 Mo\n-0.000000 0.325365 0.979166 Mo\n-0.000000 0.674635 0.479166 Mo\n0.325365 0.325365 0.479166 Mo\n0.325365 -0.000000 0.979166 Mo\n-0.000000 0.258404 0.134346 O\n-0.000001 0.741596 0.634346 O\n0.258404 0.258404 0.634346 O\n0.258404 -0.000000 0.134346 O\n0.359575 -0.000000 0.405420 O\n0.359575 0.359575 0.905420 O\n-0.000000 0.640425 0.905420 O\n-0.000000 0.359575 0.405420 O\n0.000000 0.000000 0.424697 O\n0.640425 -0.000000 0.905420 O\n0.741595 0.741596 0.134346 O\n0.000000 0.000000 0.924697 O\n0.333332 0.666667 0.025718 O\n0.666667 0.333333 0.525718 O\n0.333332 0.666667 0.525718 O\n0.666667 0.333333 0.025718 O\n0.640424 0.640425 0.405420 O\n0.741595 -0.000000 0.634346 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Mo-O",
"density": 4.458772853500585,
"density_atomic": 0.0746191289037285,
"volume": 321.63334459404,
"volume_molar": 8.070505309395392,
"formula_full": "Mo6 O18",
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"formula_anonymous": "AB3",
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"spacegroup": 185
},
{
"id": "jvasp-117404",
"created_at": "2022-09-04T14:38:26.505068Z",
"updated_at": "2022-09-04T14:38:26.505090Z",
"structure_string": "Li4 Mn6 Te2 O16\n1.0\n5.527278 0.061799 1.648279\n-3.035501 4.999880 0.020186\n-0.329229 -0.260882 11.413485\nLi Mn Te O\n4 6 2 16\ndirect\n0.884722 0.940325 0.165240 Li\n0.902634 0.433908 0.652927 Li\n0.097377 0.566096 0.347061 Li\n0.115276 0.059674 0.834767 Li\n0.000003 0.500000 0.000001 Mn\n-0.000001 0.000000 0.499999 Mn\n0.499999 0.000002 0.500000 Mn\n0.500001 0.500000 0.499999 Mn\n0.499998 0.500000 0.000001 Mn\n0.499998 -0.000003 0.000001 Mn\n0.513993 0.740913 0.750165 Te\n0.486009 0.259090 0.249836 Te\n0.289914 0.606256 0.630778 O\n0.209126 0.364068 0.424855 O\n0.285207 0.864318 0.850468 O\n0.710086 0.393744 0.369222 O\n0.721659 0.857323 0.914373 O\n0.278342 0.142677 0.085629 O\n0.714795 0.135682 0.149533 O\n0.731762 0.361009 0.911884 O\n0.744838 0.601520 0.105204 O\n0.736962 0.083246 0.610547 O\n0.279392 0.136747 0.588832 O\n0.268238 0.638991 0.088119 O\n0.255164 0.398482 0.894798 O\n0.720608 0.863254 0.411165 O\n0.790874 0.635936 0.575143 O\n0.263037 0.916753 0.389450 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 4.484696817563974,
"density_atomic": 0.08706244556981202,
"volume": 321.6082412657232,
"volume_molar": 6.917036065993664,
"formula_full": "Li4 Mn6 Te2 O16",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9021955350574715,
"spacegroup": 2
},
{
"id": "jvasp-53448",
"created_at": "2022-09-04T14:35:56.308951Z",
"updated_at": "2022-09-04T14:35:56.308961Z",
"structure_string": "Cu4 Si2 Te6\n1.0\n7.297056 -0.007658 0.001646\n2.391659 6.925971 -0.000299\n3.647010 -0.003060 6.361736\nCu Si Te\n4 2 6\ndirect\n0.987159 0.006737 0.003336 Cu\n0.341230 0.001175 0.326808 Cu\n0.157108 0.506693 0.663618 Cu\n0.834554 0.501170 0.340187 Cu\n0.681475 0.985723 0.663220 Si\n0.511220 0.485752 0.003731 Si\n0.370094 0.871292 0.001323 Te\n0.050758 0.879202 0.663284 Te\n0.880570 0.379229 0.003670 Te\n0.709004 0.872232 0.337123 Te\n0.537972 0.371269 0.665637 Te\n0.212671 0.372241 0.329822 Te\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.55569010763015,
"density_atomic": 0.03731436484832588,
"volume": 321.5919672967014,
"volume_molar": 16.138934119550438,
"formula_full": "Cu4 Si2 Te6",
"formula_reduced": "Cu2SiTe3",
"formula_anonymous": "AB2C3",
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"spacegroup": 9
},
{
"id": "jvasp-109242",
"created_at": "2022-09-04T14:37:59.561196Z",
"updated_at": "2022-09-04T14:37:59.561206Z",
"structure_string": "Rb2 Cu1 Sb1 Br6\n1.0\n6.659849 0.000000 3.845066\n2.219950 6.278966 3.845066\n0.000000 -0.000000 7.690131\nRb Cu Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741045 0.258955 0.258956 Br\n0.258955 0.258955 0.741045 Br\n0.258955 0.741045 0.741045 Br\n0.258955 0.741045 0.258956 Br\n0.741045 0.258955 0.741045 Br\n0.741045 0.741045 0.258956 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.031096660208620595,
"volume": 321.5779422263426,
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"formula_full": "Rb2 Cu1 Sb1 Br6",
"formula_reduced": "Rb2CuSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56914",
"created_at": "2022-09-04T14:37:07.542035Z",
"updated_at": "2022-09-04T14:37:07.542046Z",
"structure_string": "K4 Na2 B2 P4\n1.0\n4.837111 0.000152 1.166706\n2.406000 6.227209 0.636229\n-0.014431 0.025830 10.670751\nK Na B P\n4 2 2 4\ndirect\n0.982863 0.855811 0.178500 K\n0.177050 0.236705 0.409191 K\n0.017137 0.144189 0.821500 K\n0.822950 0.763295 0.590809 K\n0.297854 0.537328 0.866905 Na\n0.702146 0.462672 0.133096 Na\n0.500000 0.500000 0.500000 B\n0.500000 -0.000000 0.000000 B\n0.334593 0.240299 0.090612 P\n0.466766 0.693842 0.372671 P\n0.665407 0.759701 0.909388 P\n0.533234 0.306158 0.627329 P\n",
"nsites": 12,
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],
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"volume": 321.51512991175315,
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"formula_full": "K4 Na2 B2 P4",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 12
},
{
"id": "jvasp-54866",
"created_at": "2022-09-04T14:37:55.247887Z",
"updated_at": "2022-09-04T14:37:55.247919Z",
"structure_string": "Mn4 Br8\n1.0\n6.659206 0.000000 3.844694\n2.219735 6.278360 3.844694\n0.000000 0.000000 7.689389\nMn Br\n4 8\ndirect\n0.500001 0.500000 -0.000001 Mn\n0.500001 0.500000 0.499999 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.747326 0.747325 0.747324 Br\n0.747326 0.258026 0.747324 Br\n0.252675 0.252675 0.252675 Br\n0.252676 0.741974 0.252674 Br\n0.252675 0.252675 0.741974 Br\n0.258027 0.747325 0.747324 Br\n0.741975 0.252675 0.252674 Br\n0.747326 0.747325 0.258025 Br\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.436839989547396,
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"volume": 321.48483872344275,
"volume_molar": 16.133557924987258,
"formula_full": "Mn4 Br8",
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"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-9423",
"created_at": "2022-09-04T14:36:42.299687Z",
"updated_at": "2022-09-04T14:36:42.299738Z",
"structure_string": "Li4 Ga4 S8\n1.0\n6.262687 0.000000 0.000000\n0.000000 6.552438 0.000000\n0.000000 0.000000 7.834132\nLi Ga S\n4 4 8\ndirect\n0.619134 0.585698 0.122551 Li\n0.119134 0.914302 0.622551 Li\n0.619134 0.085698 0.377449 Li\n0.119134 0.414302 0.877449 Li\n0.622114 0.574638 0.625856 Ga\n0.122114 0.425363 0.374144 Ga\n0.122114 0.925363 0.125856 Ga\n0.622114 0.074637 0.874144 Ga\n0.990487 0.069513 0.880841 S\n0.990487 0.569513 0.619158 S\n0.490487 0.930488 0.119159 S\n0.490487 0.430487 0.380841 S\n0.504475 0.907815 0.633234 S\n0.004475 0.092186 0.366766 S\n0.004475 0.592186 0.133234 S\n0.504475 0.407815 0.866766 S\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ga-Li-S",
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"volume": 321.4804088472307,
"volume_molar": 12.10000171037733,
"formula_full": "Li4 Ga4 S8",
"formula_reduced": "LiGaS2",
"formula_anonymous": "ABC2",
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"spacegroup": 33
}
]
}