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=volume&page=3587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3585",
"results": [
{
"id": "jvasp-16418",
"created_at": "2022-09-04T14:38:33.483325Z",
"updated_at": "2022-09-04T14:38:33.483347Z",
"structure_string": "Y6 Fe1 Sb2\n1.0\n4.097815 -7.097624 0.000000\n4.097815 7.097624 -0.000000\n0.000000 -0.000000 4.118347\nY Fe Sb\n6 1 2\ndirect\n-0.000000 0.234034 0.000000 Y\n0.400110 0.400110 0.500000 Y\n0.599889 -0.000000 0.500000 Y\n0.234034 -0.000000 0.000000 Y\n0.765965 0.765965 0.000000 Y\n-0.000000 0.599889 0.500000 Y\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666666 0.000000 Sb\n0.666666 0.333333 0.000000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Y",
"density": 5.772601763720097,
"density_atomic": 0.037568533368456794,
"volume": 239.56218657065168,
"volume_molar": 16.0297467589094,
"formula_full": "Y6 Fe1 Sb2",
"formula_reduced": "Y6FeSb2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.1029622666666667,
"spacegroup": 189
},
{
"id": "jvasp-30518",
"created_at": "2022-09-04T14:36:47.634917Z",
"updated_at": "2022-09-04T14:36:47.634940Z",
"structure_string": "Nb2 Ag2 F12\n1.0\n5.045113 0.000000 -0.000000\n-0.000000 5.045113 -0.000000\n0.000000 -0.000000 9.411949\nNb Ag F\n2 2 12\ndirect\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.194483 0.805733 0.605275 F\n0.805517 0.194266 0.605275 F\n0.805733 0.805517 0.394725 F\n0.194266 0.194483 0.394725 F\n0.272820 0.727180 0.250000 F\n0.727180 0.727180 0.750000 F\n0.272820 0.272820 0.750000 F\n0.727180 0.272820 0.250000 F\n0.194483 0.194266 0.105275 F\n0.194266 0.805517 0.894725 F\n0.805733 0.194483 0.894725 F\n0.805517 0.805733 0.105275 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"Ag",
"F"
],
"chemical_system": "Ag-F-Nb",
"density": 4.363592295330397,
"density_atomic": 0.06678802814188449,
"volume": 239.5638925887975,
"volume_molar": 9.016796763645372,
"formula_full": "Nb2 Ag2 F12",
"formula_reduced": "NbAgF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3009497943749999,
"spacegroup": 132
},
{
"id": "jvasp-119378",
"created_at": "2022-09-04T14:38:50.964060Z",
"updated_at": "2022-09-04T14:38:50.964081Z",
"structure_string": "Fe8 O10 F6\n1.0\n4.508950 -0.013239 -0.093556\n-0.172441 7.146719 -1.894603\n0.003091 -0.001592 7.435338\nFe O F\n8 10 6\ndirect\n0.497685 0.405550 0.141479 Fe\n0.508446 0.123026 0.370553 Fe\n0.456847 0.862053 0.633913 Fe\n0.507994 0.619949 0.873356 Fe\n0.993762 0.763737 0.261310 Fe\n0.024875 0.484725 0.480769 Fe\n0.072056 0.241224 0.740135 Fe\n0.954909 0.996068 0.994591 Fe\n0.799118 0.980788 0.228265 O\n0.681693 0.838961 0.843926 O\n0.703169 0.354129 0.340156 O\n0.701787 0.607271 0.103332 O\n0.314717 0.410235 0.908862 O\n0.304553 0.901358 0.411937 O\n0.193516 0.010571 0.778723 O\n0.201919 0.532318 0.278375 O\n0.207107 0.272649 0.508483 O\n0.291357 0.640738 0.647671 O\n0.787561 0.718295 0.487806 F\n0.207863 0.783170 0.029171 F\n0.291906 0.163952 0.136123 F\n0.697503 0.089740 0.617615 F\n0.789452 0.241172 0.975969 F\n0.810206 0.458322 0.707472 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.995731930175647,
"density_atomic": 0.10017975889939201,
"volume": 239.56935276818334,
"volume_molar": 6.011334850633732,
"formula_full": "Fe8 O10 F6",
"formula_reduced": "Fe4O5F3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 2.437333362291666,
"spacegroup": 1
},
{
"id": "jvasp-59660",
"created_at": "2022-09-04T14:37:42.193629Z",
"updated_at": "2022-09-04T14:37:42.193646Z",
"structure_string": "Co6 Se8\n1.0\n6.037352 0.000000 3.485666\n2.012451 5.692070 3.485666\n-0.000000 -0.000000 6.971333\nCo Se\n6 8\ndirect\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875001 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000001 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.257252 0.257253 0.257253 Se\n0.742747 0.742748 0.271758 Se\n0.271757 0.742748 0.742748 Se\n0.742747 0.271757 0.742748 Se\n0.728242 0.257253 0.257253 Se\n0.257252 0.728243 0.257253 Se\n0.257252 0.257253 0.728243 Se\n0.742747 0.742748 0.742748 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Co",
"Se"
],
"chemical_system": "Co-Se",
"density": 6.829294492609193,
"density_atomic": 0.05843801796426604,
"volume": 239.57006906977557,
"volume_molar": 10.30517627015079,
"formula_full": "Co6 Se8",
"formula_reduced": "Co3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.4702723095238097,
"spacegroup": 227
},
{
"id": "jvasp-44623",
"created_at": "2022-09-04T14:38:11.419818Z",
"updated_at": "2022-09-04T14:38:11.419842Z",
"structure_string": "Mn6 Fe2 O16\n1.0\n5.669855 0.000019 0.000077\n-2.834912 4.910210 -0.000153\n0.000172 -0.000297 8.605487\nMn Fe O\n6 2 16\ndirect\n0.167326 0.832694 0.209306 Mn\n0.167320 0.334650 0.209281 Mn\n0.665364 0.832697 0.209295 Mn\n0.334635 0.167332 0.709294 Mn\n0.832674 0.665368 0.709306 Mn\n0.832679 0.167329 0.709281 Mn\n0.333332 0.666665 0.488715 Fe\n0.666667 0.333333 0.988715 Fe\n0.829968 0.659919 0.100375 O\n0.666661 0.333335 0.595583 O\n0.522375 0.044767 0.841648 O\n0.522379 0.477636 0.841676 O\n0.659910 0.829942 0.600367 O\n0.340090 0.170032 0.100366 O\n0.477624 0.522390 0.341647 O\n0.000002 0.000039 0.319602 O\n0.170045 0.340083 0.600357 O\n0.999997 0.000037 0.819603 O\n0.955239 0.477636 0.841662 O\n0.333339 0.666674 0.095583 O\n0.044760 0.522394 0.341661 O\n0.170031 0.829949 0.600375 O\n0.477620 0.955256 0.341676 O\n0.829954 0.170039 0.100357 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.833100777979907,
"density_atomic": 0.10017582555737488,
"volume": 239.57875931108944,
"volume_molar": 6.011570881989756,
"formula_full": "Mn6 Fe2 O16",
"formula_reduced": "Mn3FeO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.463281268678161,
"spacegroup": 186
},
{
"id": "jvasp-64083",
"created_at": "2022-09-04T14:36:15.986250Z",
"updated_at": "2022-09-04T14:36:15.986277Z",
"structure_string": "Ba4 Ta1 Hg1\n1.0\n0.000000 4.929690 4.929690\n4.929690 -0.000000 4.929690\n4.929690 4.929690 -0.000000\nBa Ta Hg\n4 1 1\ndirect\n0.124462 0.625179 0.625179 Ba\n0.625179 0.625179 0.625179 Ba\n0.625179 0.124462 0.625179 Ba\n0.625179 0.625179 0.124462 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Hg"
],
"chemical_system": "Ba-Hg-Ta",
"density": 6.451163562951108,
"density_atomic": 0.025041620244567468,
"volume": 239.6011097285784,
"volume_molar": 24.048526817295077,
"formula_full": "Ba4 Ta1 Hg1",
"formula_reduced": "Ba4TaHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9194962799999996,
"spacegroup": 216
},
{
"id": "jvasp-64803",
"created_at": "2022-09-04T14:35:56.805885Z",
"updated_at": "2022-09-04T14:35:56.805913Z",
"structure_string": "Ba4 Co1 Cl1\n1.0\n0.000000 4.929847 4.929847\n4.929847 -0.000000 4.929847\n4.929847 4.929847 -0.000000\nBa Co Cl\n4 1 1\ndirect\n0.124116 0.625295 0.625295 Ba\n0.625295 0.625295 0.625295 Ba\n0.625295 0.124116 0.625295 Ba\n0.625295 0.625295 0.124116 Ba\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Cl"
],
"chemical_system": "Ba-Cl-Co",
"density": 4.460652293914821,
"density_atomic": 0.025039227832081148,
"volume": 239.62400279423102,
"volume_molar": 24.050824571691543,
"formula_full": "Ba4 Co1 Cl1",
"formula_reduced": "Ba4CoCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5408131412499999,
"spacegroup": 216
},
{
"id": "jvasp-101922",
"created_at": "2022-09-04T14:36:53.933192Z",
"updated_at": "2022-09-04T14:36:53.933215Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.553613 0.095437 0.552346\n2.460388 4.450586 0.845314\n0.545781 0.252527 12.058698\nZn H C O\n1 14 9 4\ndirect\n0.772006 0.889473 0.831032 Zn\n0.708999 0.012416 0.373557 H\n0.813020 0.712775 0.116463 H\n0.147622 0.657501 0.190883 H\n0.528653 0.567300 0.303935 H\n0.858759 0.529172 0.374745 H\n0.021877 -0.015127 0.450950 H\n0.498409 0.057461 0.572846 H\n0.219073 0.309576 0.000066 H\n0.567885 0.236483 0.072924 H\n0.958313 0.168263 0.184877 H\n0.289800 0.114037 0.259769 H\n0.843235 0.278321 0.617283 H\n0.552708 0.638402 0.543332 H\n0.249523 0.407797 0.487467 H\n0.359213 0.653265 0.960544 C\n0.315432 0.413549 0.045071 C\n0.064795 0.540422 0.146868 C\n0.035736 0.287040 0.230228 C\n0.505249 0.254533 0.518655 C\n0.768781 0.144833 0.418272 C\n0.580848 0.422681 0.591891 C\n0.338096 0.493711 0.696472 C\n0.785394 0.401405 0.332881 C\n0.107132 0.889882 0.914971 O\n0.407764 0.307432 0.788231 O\n0.056602 0.745472 0.688894 O\n0.661378 0.610485 0.938679 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7436090951405034,
"density_atomic": 0.11684850335448989,
"volume": 239.6265180654888,
"volume_molar": 5.1538022200680595,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493743371428572,
"spacegroup": 1
},
{
"id": "jvasp-21560",
"created_at": "2022-09-04T14:36:55.777262Z",
"updated_at": "2022-09-04T14:36:55.777292Z",
"structure_string": "Cu4 As4 S4\n1.0\n3.831679 0.000000 0.000000\n0.000000 5.476636 0.000000\n0.000000 0.000000 11.421658\nCu As S\n4 4 4\ndirect\n0.279441 0.438986 0.676528 Cu\n0.779441 0.938987 0.823473 Cu\n0.779441 0.561014 0.323472 Cu\n0.279441 0.061014 0.176528 Cu\n0.779639 0.650912 0.984844 As\n0.279639 0.150911 0.515156 As\n0.779639 0.849089 0.484844 As\n0.279639 0.349089 0.015156 As\n0.779501 0.828026 0.167820 S\n0.779501 0.671975 0.667820 S\n0.279501 0.171975 0.832180 S\n0.279501 0.328026 0.332180 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"As",
"S"
],
"chemical_system": "As-Cu-S",
"density": 4.72589811776919,
"density_atomic": 0.05006671514852931,
"volume": 239.68019400514825,
"volume_molar": 12.028232214025923,
"formula_full": "Cu4 As4 S4",
"formula_reduced": "CuAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0530073999999998,
"spacegroup": 62
},
{
"id": "jvasp-91395",
"created_at": "2022-09-04T14:36:19.717407Z",
"updated_at": "2022-09-04T14:36:19.717433Z",
"structure_string": "Fe4 Co4 B4 O16\n1.0\n2.941061 0.000000 0.000000\n-0.000000 8.895820 0.000000\n0.000000 0.000000 9.161925\nFe Co B O\n4 4 4 16\ndirect\n0.750000 0.380416 0.434372 Fe\n0.250000 0.619584 0.565627 Fe\n0.750000 0.880416 0.065627 Fe\n0.250000 0.119584 0.934372 Fe\n0.750000 0.388187 0.796248 Co\n0.250000 0.611813 0.203752 Co\n0.750000 0.888187 0.703751 Co\n0.250000 0.111813 0.296248 Co\n0.250000 0.157406 0.619872 B\n0.750000 0.842594 0.380127 B\n0.250000 0.657406 0.880127 B\n0.750000 0.342594 0.119873 B\n0.250000 0.509012 0.385882 O\n0.750000 0.490988 0.614118 O\n0.250000 0.232193 0.486985 O\n0.750000 0.767807 0.513014 O\n0.250000 0.732193 0.013015 O\n0.750000 0.267807 0.986985 O\n0.250000 0.239981 0.749688 O\n0.250000 0.504556 0.872573 O\n0.250000 0.739981 0.750311 O\n0.750000 0.260019 0.249688 O\n0.250000 0.004556 0.627426 O\n0.750000 0.995444 0.372574 O\n0.750000 0.990988 0.885881 O\n0.750000 0.495444 0.127426 O\n0.750000 0.760019 0.250312 O\n0.250000 0.009012 0.114118 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Fe",
"Co",
"B",
"O"
],
"chemical_system": "B-Co-Fe-O",
"density": 5.253399426775581,
"density_atomic": 0.1168103378678625,
"volume": 239.70481132991836,
"volume_molar": 5.155486123850039,
"formula_full": "Fe4 Co4 B4 O16",
"formula_reduced": "FeCoBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.1681818547619054,
"spacegroup": 62
},
{
"id": "jvasp-46381",
"created_at": "2022-09-04T14:38:09.049859Z",
"updated_at": "2022-09-04T14:38:09.049885Z",
"structure_string": "Tm4 Mn4 O14\n1.0\n-0.000000 4.930425 4.930425\n4.930425 0.000000 4.930425\n4.930425 4.930425 0.000000\nTm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.919560 0.330441 0.919560 O\n0.625001 0.625001 0.625001 O\n0.330441 0.330441 0.919560 O\n0.919560 0.919560 0.330441 O\n0.330441 0.919560 0.330441 O\n0.080441 0.669560 0.080441 O\n0.080441 0.080441 0.669560 O\n0.375000 0.375000 0.375000 O\n0.669560 0.669560 0.080441 O\n0.080441 0.669560 0.669560 O\n0.919560 0.330441 0.330441 O\n0.669560 0.080441 0.080441 O\n0.669560 0.080441 0.669560 O\n0.330441 0.919560 0.919560 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tm",
"density": 7.755014441855485,
"density_atomic": 0.09177821664998233,
"volume": 239.70829683804098,
"volume_molar": 6.561623204084298,
"formula_full": "Tm4 Mn4 O14",
"formula_reduced": "Tm2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.824146134796238,
"spacegroup": 227
},
{
"id": "jvasp-111752",
"created_at": "2022-09-04T14:38:41.221038Z",
"updated_at": "2022-09-04T14:38:41.221069Z",
"structure_string": "Ba2 Hf2 F12\n1.0\n6.939691 -0.077571 0.000000\n-2.694776 6.395585 -0.000000\n-0.000000 0.000000 5.426681\nBa Hf F\n2 2 12\ndirect\n0.249999 0.749999 0.433073 Ba\n0.750000 0.250000 0.566927 Ba\n0.749999 0.750000 0.000000 Hf\n0.250000 0.250000 0.000000 Hf\n0.681254 0.934166 0.245940 F\n0.318746 0.065833 0.754060 F\n0.818745 0.565833 0.245940 F\n0.565833 0.818745 0.754060 F\n0.181254 0.434166 0.754060 F\n0.434166 0.181254 0.245940 F\n0.934166 0.681254 0.754060 F\n0.065833 0.318745 0.245940 F\n0.437285 0.562714 0.162719 F\n0.562714 0.437286 0.837281 F\n0.062713 0.937285 0.162719 F\n0.937286 0.062714 0.837281 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"F"
],
"chemical_system": "Ba-F-Hf",
"density": 5.954544809959175,
"density_atomic": 0.06674451006255452,
"volume": 239.7200906112641,
"volume_molar": 9.022675804131168,
"formula_full": "Ba2 Hf2 F12",
"formula_reduced": "BaHfF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.124776333125,
"spacegroup": 67
}
]
}