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_molar&page=1512",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1510",
"results": [
{
"id": "jvasp-92573",
"created_at": "2022-09-04T14:35:55.676343Z",
"updated_at": "2022-09-04T14:35:55.676374Z",
"structure_string": "Sm2 Bi1 O2\n1.0\n3.962539 -0.000000 0.000000\n-0.000000 3.962539 0.000000\n-1.981271 -1.981271 6.869360\nSm Bi O\n2 1 2\ndirect\n0.665561 0.665561 0.331123 Sm\n0.334439 0.334439 0.668877 Sm\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sm",
"density": 8.339574937223396,
"density_atomic": 0.04635607193797143,
"volume": 107.8607351953903,
"volume_molar": 12.991050596474532,
"formula_full": "Sm2 Bi1 O2",
"formula_reduced": "Sm2BiO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.31077181,
"spacegroup": 139
},
{
"id": "jvasp-94346",
"created_at": "2022-09-04T14:36:07.851661Z",
"updated_at": "2022-09-04T14:36:07.851687Z",
"structure_string": "Li2 Mg4\n1.0\n5.456598 0.000000 0.000000\n-2.728300 4.725552 0.000000\n0.000000 0.000000 5.019573\nLi Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n0.661355 -0.000000 0.000000 Mg\n0.338645 0.338645 0.000000 Mg\n-0.000000 0.661354 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4253768264363293,
"density_atomic": 0.04635642862131042,
"volume": 129.4318863304701,
"volume_molar": 12.990950638573514,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2740104761904762,
"spacegroup": 189
},
{
"id": "jvasp-90585",
"created_at": "2022-09-04T14:35:53.210561Z",
"updated_at": "2022-09-04T14:35:53.210593Z",
"structure_string": "Li2 Mg6\n1.0\n4.951814 0.000000 -0.000000\n0.000000 4.951814 0.000000\n0.000000 0.000000 7.038015\nLi Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.5367662384236782,
"density_atomic": 0.04635655482970002,
"volume": 172.57537859294297,
"volume_molar": 12.990915269962418,
"formula_full": "Li2 Mg6",
"formula_reduced": "LiMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1856642857142857,
"spacegroup": 225
},
{
"id": "jvasp-92250",
"created_at": "2022-09-04T14:35:47.704508Z",
"updated_at": "2022-09-04T14:35:47.704538Z",
"structure_string": "Li3 Sb1 S4\n1.0\n0.000000 5.626021 -0.000000\n5.626021 -0.000000 -0.000000\n2.813010 2.813010 -5.452175\nLi Sb S\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.629506 0.116103 0.254392 S\n0.116103 0.629506 0.254392 S\n0.370494 0.370494 0.745609 S\n0.883896 0.883896 0.745609 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.606118914438615,
"density_atomic": 0.046357232626935585,
"volume": 172.57285533803952,
"volume_molar": 12.990725327509892,
"formula_full": "Li3 Sb1 S4",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5230582625000002,
"spacegroup": 121
},
{
"id": "jvasp-90182",
"created_at": "2022-09-04T14:35:53.170679Z",
"updated_at": "2022-09-04T14:35:53.170700Z",
"structure_string": "Er3 Cd3 Ga3\n1.0\n0.000000 0.000000 -4.334446\n-3.595830 -6.228161 0.000000\n-3.595815 6.228151 0.000000\nEr Cd Ga\n3 3 3\ndirect\n0.500000 0.577573 0.000000 Er\n0.500000 0.422401 0.422413 Er\n0.500000 0.999989 0.577588 Er\n0.000000 0.251097 0.000000 Cd\n0.000000 0.748883 0.748891 Cd\n0.000000 0.999990 0.251109 Cd\n0.000000 0.333324 0.666668 Ga\n0.000000 0.666656 0.333333 Ga\n0.500000 0.999988 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Cd",
"Ga"
],
"chemical_system": "Cd-Er-Ga",
"density": 8.965267079328354,
"density_atomic": 0.04635762621578044,
"volume": 194.14281391604862,
"volume_molar": 12.990615032721461,
"formula_full": "Er3 Cd3 Ga3",
"formula_reduced": "ErCdGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-16302",
"created_at": "2022-09-04T14:38:10.535206Z",
"updated_at": "2022-09-04T14:38:10.535232Z",
"structure_string": "Au2 Se2\n1.0\n2.072073 -3.588934 0.000000\n2.072073 3.588934 0.000000\n0.000000 -0.000000 5.801239\nAu Se\n2 2\ndirect\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666666 0.333333 0.750000 Se\n0.333333 0.666666 0.250000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Se"
],
"chemical_system": "Au-Se",
"density": 10.620655862456752,
"density_atomic": 0.04635949689160718,
"volume": 86.28221331548038,
"volume_molar": 12.990090841754228,
"formula_full": "Au2 Se2",
"formula_reduced": "AuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6819804683333333,
"spacegroup": 194
},
{
"id": "jvasp-4705",
"created_at": "2022-09-04T14:38:06.258049Z",
"updated_at": "2022-09-04T14:38:06.258075Z",
"structure_string": "Au2 Se2\n1.0\n2.072073 -3.588934 0.000000\n2.072073 3.588934 0.000000\n0.000000 0.000000 5.801239\nAu Se\n2 2\ndirect\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666666 0.333333 0.750000 Se\n0.333333 0.666666 0.250000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Se"
],
"chemical_system": "Au-Se",
"density": 10.620655862456752,
"density_atomic": 0.04635949689160718,
"volume": 86.28221331548038,
"volume_molar": 12.990090841754228,
"formula_full": "Au2 Se2",
"formula_reduced": "AuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6819804683333333,
"spacegroup": 194
},
{
"id": "jvasp-96877",
"created_at": "2022-09-04T14:36:04.332974Z",
"updated_at": "2022-09-04T14:36:04.333004Z",
"structure_string": "K6 Li3 Al3 F18\n1.0\n4.301489 2.483466 10.095940\n-4.301489 2.483466 10.095940\n-0.000000 -4.966933 10.095940\nK Li Al F\n6 3 3 18\ndirect\n0.908239 0.908239 0.908238 K\n0.091761 0.091761 0.091761 K\n0.574906 0.574906 0.574905 K\n0.758429 0.758429 0.758427 K\n0.241572 0.241572 0.241571 K\n0.425095 0.425095 0.425094 K\n0.500000 0.500000 0.499999 Li\n0.166667 0.166667 0.166667 Li\n0.833334 0.833334 0.833332 Li\n0.333333 0.333333 0.333333 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.666667 0.666666 Al\n0.084751 0.584798 0.584797 F\n0.751417 0.251463 0.251463 F\n0.415203 0.915250 0.415202 F\n0.415203 0.415203 0.915249 F\n0.915250 0.415203 0.415202 F\n0.584798 0.084751 0.584797 F\n0.584798 0.584798 0.084750 F\n0.748537 0.248584 0.748536 F\n0.081870 0.581917 0.081869 F\n0.248584 0.748537 0.748536 F\n0.918131 0.418084 0.918129 F\n0.918131 0.918131 0.418082 F\n0.418084 0.918131 0.918129 F\n0.251463 0.251463 0.751416 F\n0.081870 0.081870 0.581916 F\n0.581917 0.081870 0.081869 F\n0.748537 0.748537 0.248583 F\n0.251463 0.751417 0.251463 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-K-Li",
"density": 1.740660875891065,
"density_atomic": 0.04636029062926864,
"volume": 647.1055205391681,
"volume_molar": 12.98986843753314,
"formula_full": "K6 Li3 Al3 F18",
"formula_reduced": "K2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2406210000000003,
"spacegroup": 191
},
{
"id": "jvasp-600",
"created_at": "2022-09-04T14:37:54.298763Z",
"updated_at": "2022-09-04T14:37:54.298782Z",
"structure_string": "Re4 Se8\n1.0\n6.677944 -0.003009 -0.001699\n-3.280362 5.955637 0.000263\n-1.763156 -1.229723 6.510137\nRe Se\n4 8\ndirect\n0.063956 0.315488 0.491765 Re\n0.936043 0.684513 0.508235 Re\n0.486989 0.290872 0.497068 Re\n0.513010 0.709129 0.502932 Re\n0.247635 0.381391 0.208213 Se\n0.752364 0.618610 0.791787 Se\n0.720731 0.338901 0.241258 Se\n0.279268 0.661099 0.758742 Se\n0.226255 0.109558 0.721784 Se\n0.773745 0.890443 0.278215 Se\n0.754623 0.136450 0.694912 Se\n0.245376 0.863550 0.305088 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Re",
"Se"
],
"chemical_system": "Re-Se",
"density": 8.831049564476066,
"density_atomic": 0.046362380941504217,
"volume": 258.8305379557727,
"volume_molar": 12.989282771301548,
"formula_full": "Re4 Se8",
"formula_reduced": "ReSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.749338244444444,
"spacegroup": 2
},
{
"id": "jvasp-22592",
"created_at": "2022-09-04T14:35:57.316455Z",
"updated_at": "2022-09-04T14:35:57.316472Z",
"structure_string": "Cu2 W1 S4\n1.0\n4.926178 0.000000 -2.343058\n-1.114438 4.798465 -2.343058\n0.011155 0.014043 6.373521\nCu W S\n2 1 4\ndirect\n0.500000 -0.000000 -0.000000 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.000000 W\n0.891988 0.891986 0.257946 S\n0.365960 0.365960 0.257947 S\n0.108013 0.634039 0.742052 S\n0.634041 0.108012 0.742052 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"W",
"S"
],
"chemical_system": "Cu-S-W",
"density": 4.830345402224473,
"density_atomic": 0.04636312582917492,
"volume": 150.98205469992513,
"volume_molar": 12.989074080528122,
"formula_full": "Cu2 W1 S4",
"formula_reduced": "Cu2WS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.323195842857143,
"spacegroup": 121
},
{
"id": "jvasp-105935",
"created_at": "2022-09-04T14:35:53.912648Z",
"updated_at": "2022-09-04T14:35:53.912669Z",
"structure_string": "Nb2 Sb2\n1.0\n3.606584 0.000000 -0.000000\n-1.803292 3.123395 -0.000000\n-0.000000 -0.000000 7.658624\nNb Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.333332 0.666666 0.250000 Sb\n0.666666 0.333333 0.750000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Sb"
],
"chemical_system": "Nb-Sb",
"density": 8.263602436538028,
"density_atomic": 0.04636457471794935,
"volume": 86.27276372819742,
"volume_molar": 12.98866817313568,
"formula_full": "Nb2 Sb2",
"formula_reduced": "NbSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.30786775,
"spacegroup": 194
},
{
"id": "jvasp-122987",
"created_at": "2022-09-04T14:38:55.280787Z",
"updated_at": "2022-09-04T14:38:55.280820Z",
"structure_string": "Sm1 V1\n1.0\n3.506993 0.000000 -0.000000\n0.000000 3.506993 -0.000000\n0.000000 0.000000 3.506993\nSm V\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"V"
],
"chemical_system": "Sm-V",
"density": 7.749816357720156,
"density_atomic": 0.04636874040826284,
"volume": 43.13250656348653,
"volume_molar": 12.987501292846988,
"formula_full": "Sm1 V1",
"formula_reduced": "SmV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
}
]
}