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=-created_at&page=1535",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1533",
"results": [
{
"id": "jvasp-35230",
"created_at": "2022-09-04T14:37:55.126510Z",
"updated_at": "2022-09-04T14:37:55.126537Z",
"structure_string": "Lu4 O12\n1.0\n-3.707514 -3.707514 3.707514\n-3.707514 3.707514 -3.707514\n3.707514 -3.707514 -3.707514\nLu O\n4 12\ndirect\n0.499999 0.499999 0.499999 Lu\n0.499999 0.000000 0.000000 Lu\n0.000000 0.499999 0.000000 Lu\n0.000000 0.000000 0.499999 Lu\n0.900145 0.681226 0.581372 O\n0.099854 0.318773 0.418627 O\n0.099854 0.681226 0.781080 O\n0.900145 0.318773 0.218919 O\n0.681226 0.581372 0.900145 O\n0.318773 0.418627 0.099854 O\n0.681226 0.781080 0.099854 O\n0.318773 0.218919 0.900145 O\n0.581372 0.900145 0.681226 O\n0.418627 0.099854 0.318773 O\n0.781080 0.099854 0.681226 O\n0.218919 0.900145 0.318773 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Lu",
"O"
],
"chemical_system": "Lu-O",
"density": 7.2650362056502145,
"density_atomic": 0.07848950539732898,
"volume": 203.8489084496701,
"volume_molar": 7.672542627851667,
"formula_full": "Lu4 O12",
"formula_reduced": "LuO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6394865625,
"spacegroup": 204
},
{
"id": "jvasp-24305",
"created_at": "2022-09-04T14:37:55.122859Z",
"updated_at": "2022-09-04T14:37:55.122895Z",
"structure_string": "I4 O4 F12\n1.0\n5.118576 0.000000 0.000000\n0.000000 5.433488 0.000000\n0.000000 0.000000 11.053740\nI O F\n4 4 12\ndirect\n0.664494 0.432571 0.907518 I\n0.164494 0.067429 0.092482 I\n0.335507 0.932571 0.592482 I\n0.835507 0.567429 0.407518 I\n0.819265 0.159401 0.966236 O\n0.680736 0.840600 0.466236 O\n0.180736 0.659401 0.533764 O\n0.319265 0.340600 0.033764 O\n0.042741 0.011268 0.691861 F\n0.531888 0.221680 0.775406 F\n0.329667 0.870443 -0.036213 F\n0.457259 -0.011268 0.191861 F\n0.968114 0.778321 0.275406 F\n0.542742 0.488732 0.308139 F\n0.031887 0.278321 0.224594 F\n0.670334 0.370443 0.536213 F\n0.170334 0.129558 0.463787 F\n0.829667 0.629558 0.036213 F\n0.468113 0.721680 0.724594 F\n0.957260 0.511269 0.808139 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"I",
"O",
"F"
],
"chemical_system": "F-I-O",
"density": 4.318995682302748,
"density_atomic": 0.0650568276794801,
"volume": 307.4235359051837,
"volume_molar": 9.256739030789651,
"formula_full": "I4 O4 F12",
"formula_reduced": "IOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0947041244999997,
"spacegroup": 19
},
{
"id": "jvasp-19735",
"created_at": "2022-09-04T14:37:55.121156Z",
"updated_at": "2022-09-04T14:37:55.121183Z",
"structure_string": "U1 B2\n1.0\n1.547880 -2.681007 -0.000000\n1.547880 2.681007 0.000000\n-0.000000 0.000000 4.040250\nU B\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"B"
],
"chemical_system": "B-U",
"density": 12.857764739898276,
"density_atomic": 0.0894638911329725,
"volume": 33.533082029050384,
"volume_molar": 6.731364669852261,
"formula_full": "U1 B2",
"formula_reduced": "UB2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.221760388888889,
"spacegroup": 191
},
{
"id": "jvasp-44410",
"created_at": "2022-09-04T14:37:55.111324Z",
"updated_at": "2022-09-04T14:37:55.111352Z",
"structure_string": "Fe1 Co3 P4 O16\n1.0\n0.000000 4.663079 -0.073595\n5.609828 0.000000 0.000000\n0.000000 0.076442 -9.683148\nFe Co P O\n1 3 4 16\ndirect\n0.052598 0.000000 0.265674 Fe\n0.949544 0.500000 0.736868 Co\n0.546655 0.500000 0.227226 Co\n0.451454 0.000000 0.772278 Co\n0.891320 0.000000 0.595988 P\n0.613342 0.000000 0.079965 P\n0.387856 0.500000 0.918310 P\n0.106664 0.500000 0.406717 P\n0.274687 0.709227 0.327894 O\n0.213567 0.000000 0.617334 O\n0.290022 0.000000 0.102915 O\n0.242528 0.283193 0.840521 O\n0.242528 0.716807 0.840521 O\n0.304853 0.500000 0.072054 O\n0.694942 0.000000 0.926403 O\n0.785292 0.500000 0.382974 O\n0.758329 0.215916 0.158269 O\n0.711872 0.500000 0.898002 O\n0.274687 0.290773 0.327894 O\n0.722615 0.789729 0.671402 O\n0.722615 0.210271 0.671402 O\n0.842197 0.000000 0.440799 O\n0.758329 0.784084 0.158269 O\n0.161504 0.500000 0.560331 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Fe",
"Co",
"P",
"O"
],
"chemical_system": "Co-Fe-O-P",
"density": 4.01598155353184,
"density_atomic": 0.09476030853150988,
"volume": 253.27059791093308,
"volume_molar": 6.355129962454171,
"formula_full": "Fe1 Co3 P4 O16",
"formula_reduced": "FeCo3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.3170440083333337,
"spacegroup": 6
},
{
"id": "jvasp-38804",
"created_at": "2022-09-04T14:37:55.105752Z",
"updated_at": "2022-09-04T14:37:55.105789Z",
"structure_string": "Ho2 Al1 Os1\n1.0\n0.000000 3.474980 3.474980\n3.474980 0.000000 3.474980\n3.474980 3.474980 -0.000000\nHo Al Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Os"
],
"chemical_system": "Al-Ho-Os",
"density": 10.824474032389018,
"density_atomic": 0.04766208836673496,
"volume": 83.92414468333997,
"volume_molar": 12.635075311141977,
"formula_full": "Ho2 Al1 Os1",
"formula_reduced": "Ho2AlOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.517509733333333,
"spacegroup": 225
},
{
"id": "jvasp-38355",
"created_at": "2022-09-04T14:37:55.099587Z",
"updated_at": "2022-09-04T14:37:55.099608Z",
"structure_string": "Rb1 Ba3\n1.0\n-3.142458 3.142458 6.560676\n3.142458 -3.142458 6.560676\n3.142458 3.142458 -6.560676\nRb Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ba"
],
"chemical_system": "Ba-Rb",
"density": 3.187498134644185,
"density_atomic": 0.01543520655448222,
"volume": 259.1478115878172,
"volume_molar": 39.01561497569485,
"formula_full": "Rb1 Ba3",
"formula_reduced": "RbBa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-57661",
"created_at": "2022-09-04T14:37:55.095002Z",
"updated_at": "2022-09-04T14:37:55.095032Z",
"structure_string": "Mg4 F8\n1.0\n4.975400 0.000000 0.000000\n-0.000000 4.975400 0.000000\n-0.000000 -0.000000 4.975400\nMg F\n4 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.341024 0.158976 0.841024 F\n0.158976 0.841024 0.341024 F\n0.841024 0.341024 0.158976 F\n0.658976 0.658976 0.658976 F\n0.341024 0.341024 0.341024 F\n0.158976 0.658976 0.841024 F\n0.841024 0.158976 0.658976 F\n0.658976 0.841024 0.158976 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"F"
],
"chemical_system": "F-Mg",
"density": 3.3598951296682498,
"density_atomic": 0.09743101806768645,
"volume": 123.16406251306398,
"volume_molar": 6.180927675225922,
"formula_full": "Mg4 F8",
"formula_reduced": "MgF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0182366666666666,
"spacegroup": 205
},
{
"id": "jvasp-5815",
"created_at": "2022-09-04T14:37:55.089155Z",
"updated_at": "2022-09-04T14:37:55.089186Z",
"structure_string": "Ga2 Pd1 I8\n1.0\n7.559239 -0.027943 0.558584\n0.291948 7.162682 3.631769\n-0.059509 0.109142 8.035144\nGa Pd I\n2 1 8\ndirect\n0.658474 0.211187 0.211187 Ga\n0.341526 0.788813 0.788813 Ga\n0.000000 0.000000 0.000000 Pd\n0.144854 0.656334 0.108566 I\n0.855146 0.891434 0.343665 I\n0.344596 0.158005 0.158004 I\n0.655404 0.841995 0.841995 I\n0.144854 0.108565 0.656334 I\n0.855146 0.343666 0.891434 I\n0.682150 0.392858 0.392857 I\n0.317851 0.607142 0.607142 I\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ga",
"Pd",
"I"
],
"chemical_system": "Ga-I-Pd",
"density": 4.843108260553233,
"density_atomic": 0.02544003081730246,
"volume": 432.38941332251056,
"volume_molar": 23.671908274199804,
"formula_full": "Ga2 Pd1 I8",
"formula_reduced": "Ga2PdI8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-39367",
"created_at": "2022-09-04T14:37:55.087359Z",
"updated_at": "2022-09-04T14:37:55.087385Z",
"structure_string": "Ho1 Hf1 Ru2\n1.0\n0.000000 3.298960 3.298960\n3.298960 -0.000000 3.298960\n3.298960 3.298960 -0.000000\nHo Hf Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ho\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Hf",
"Ru"
],
"chemical_system": "Hf-Ho-Ru",
"density": 12.616262833116137,
"density_atomic": 0.05570559873008195,
"volume": 71.80606781343027,
"volume_molar": 10.810656194864563,
"formula_full": "Ho1 Hf1 Ru2",
"formula_reduced": "HoHfRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.810632391666667,
"spacegroup": 225
},
{
"id": "jvasp-19667",
"created_at": "2022-09-04T14:37:55.073696Z",
"updated_at": "2022-09-04T14:37:55.073727Z",
"structure_string": "Zr2 Te2\n1.0\n1.879044 -3.254600 -0.000000\n1.879044 3.254600 -0.000000\n-0.000000 0.000000 8.089961\nZr Te\n2 2\ndirect\n0.666666 0.333332 0.750000 Zr\n0.333332 0.666666 0.250000 Zr\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.344513815897761,
"density_atomic": 0.04042490405840848,
"volume": 98.94890521497702,
"volume_molar": 14.897105881312243,
"formula_full": "Zr2 Te2",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.4163911333333332,
"spacegroup": 194
},
{
"id": "jvasp-39637",
"created_at": "2022-09-04T14:37:55.072423Z",
"updated_at": "2022-09-04T14:37:55.072437Z",
"structure_string": "Zn6 Hg2\n1.0\n3.101529 -5.372007 0.000000\n3.101529 5.372007 -0.000000\n0.000000 -0.000000 4.295919\nZn Hg\n6 2\ndirect\n0.689597 0.844799 0.750000 Zn\n0.155201 0.310403 0.750000 Zn\n0.155201 0.844799 0.750000 Zn\n0.310403 0.155201 0.250000 Zn\n0.844799 0.689597 0.250000 Zn\n0.844799 0.155201 0.250000 Zn\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 9.205997797122514,
"density_atomic": 0.05588451562274854,
"volume": 143.15235465230538,
"volume_molar": 10.776045373020299,
"formula_full": "Zn6 Hg2",
"formula_reduced": "Zn3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-28885",
"created_at": "2022-09-04T14:37:55.071670Z",
"updated_at": "2022-09-04T14:37:55.071698Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.353495 -0.000000 0.000000\n-1.676748 2.904204 -0.000015\n0.000000 -0.000195 37.867049\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333355 0.666713 0.332132 Te\n0.333357 0.666715 0.231264 Te\n0.333313 0.666627 0.469734 Mo\n0.333310 0.666620 0.093942 W\n0.666687 0.333372 0.281780 W\n0.666683 0.333364 0.657518 W\n0.333353 0.666708 0.701425 Se\n0.666649 0.333296 0.425822 Se\n0.666649 0.333295 0.513675 Se\n0.333353 0.666707 0.613365 Se\n0.666642 0.333282 0.053889 S\n0.666645 0.333287 0.134201 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.775163008673712,
"density_atomic": 0.03253831071675886,
"volume": 368.79603567801075,
"volume_molar": 18.507846988191357,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.124099575000001,
"spacegroup": 156
}
]
}