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=496",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=494",
"results": [
{
"id": "jvasp-20446",
"created_at": "2022-09-04T14:37:39.540116Z",
"updated_at": "2022-09-04T14:37:39.540143Z",
"structure_string": "Cu3 Au1\n1.0\n3.784013 0.000000 0.000000\n0.000000 3.784013 -0.000000\n0.000000 -0.000000 3.784013\nCu Au\n3 1\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Au"
],
"chemical_system": "Au-Cu",
"density": 11.87900666445551,
"density_atomic": 0.07382477500883211,
"volume": 54.18235273350248,
"volume_molar": 8.157343871728068,
"formula_full": "Cu3 Au1",
"formula_reduced": "Cu3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-70665",
"created_at": "2022-09-04T14:35:44.289778Z",
"updated_at": "2022-09-04T14:35:44.289802Z",
"structure_string": "Be2 Tl1 Cu1\n1.0\n3.871905 0.000000 0.000000\n0.000000 3.871905 0.000000\n0.000000 -0.000000 3.614187\nBe Tl Cu\n2 1 1\ndirect\n0.500001 0.000000 0.000000 Be\n0.000000 0.500001 0.000000 Be\n0.000000 0.000000 0.500000 Tl\n0.500001 0.500001 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Cu"
],
"chemical_system": "Be-Cu-Tl",
"density": 8.763644613963397,
"density_atomic": 0.07382441017316939,
"volume": 54.18262049933387,
"volume_molar": 8.157384184816253,
"formula_full": "Be2 Tl1 Cu1",
"formula_reduced": "Be2TlCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.80927690625,
"spacegroup": 123
},
{
"id": "jvasp-119994",
"created_at": "2022-09-04T14:38:53.324605Z",
"updated_at": "2022-09-04T14:38:53.324633Z",
"structure_string": "Zn1 Ag1 F1\n1.0\n2.892546 0.000000 0.000000\n0.000000 2.892546 0.000000\n0.000000 0.000000 6.476376\nZn Ag F\n1 1 1\ndirect\n0.000000 0.000000 0.702288 Zn\n0.000000 0.000000 0.327624 Ag\n0.000000 0.000000 -0.008635 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zn",
"density": 5.892243374696169,
"density_atomic": 0.05536415189911142,
"volume": 54.186687542271365,
"volume_molar": 10.877328656589887,
"formula_full": "Zn1 Ag1 F1",
"formula_reduced": "ZnAgF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-114352",
"created_at": "2022-09-04T14:38:40.432886Z",
"updated_at": "2022-09-04T14:38:40.432915Z",
"structure_string": "Na1 Mg1 O1\n1.0\n4.127221 -0.000000 -0.000000\n-2.063611 3.574278 0.000000\n-0.000000 -0.000000 3.673252\nNa Mg O\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 1.939617193964595,
"density_atomic": 0.05536361990123395,
"volume": 54.187208230817575,
"volume_molar": 10.877433178580468,
"formula_full": "Na1 Mg1 O1",
"formula_reduced": "NaMgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.28104,
"spacegroup": 187
},
{
"id": "jvasp-8098",
"created_at": "2022-09-04T14:36:35.358971Z",
"updated_at": "2022-09-04T14:36:35.358993Z",
"structure_string": "Ag1 N1 O2\n1.0\n2.969117 0.000000 1.298111\n1.131637 4.062596 1.456278\n-0.179299 0.171039 4.454732\nAg N O\n1 1 2\ndirect\n0.000001 0.955411 0.044590 Ag\n-0.000000 0.392100 0.607901 N\n0.837915 0.688332 0.635839 O\n0.162086 0.364161 0.311669 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-O",
"density": 4.714990181748863,
"density_atomic": 0.07381205382420028,
"volume": 54.1916908250092,
"volume_molar": 8.158749754265148,
"formula_full": "Ag1 N1 O2",
"formula_reduced": "AgNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3816193775,
"spacegroup": 44
},
{
"id": "jvasp-114259",
"created_at": "2022-09-04T14:38:40.283758Z",
"updated_at": "2022-09-04T14:38:40.283783Z",
"structure_string": "Cu1 S2 N1\n1.0\n-1.620244 3.288994 2.542318\n1.620244 -3.288994 2.542318\n1.620244 3.288994 -2.542318\nCu S N\n1 2 1\ndirect\n0.045666 0.045666 0.000000 Cu\n0.683636 0.449519 0.234117 S\n0.215401 0.449519 0.765883 S\n0.655297 0.655297 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"S",
"N"
],
"chemical_system": "Cu-N-S",
"density": 4.34142752287581,
"density_atomic": 0.07381194076942715,
"volume": 54.1917738282367,
"volume_molar": 8.158762250693137,
"formula_full": "Cu1 S2 N1",
"formula_reduced": "CuS2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.285180925,
"spacegroup": 44
},
{
"id": "jvasp-77294",
"created_at": "2022-09-04T14:37:11.649550Z",
"updated_at": "2022-09-04T14:37:11.649580Z",
"structure_string": "Be1 Mo1 Ru2\n1.0\n-8.595672 0.001882 -4.966408\n-5.512031 0.056901 -0.381968\n-4.728026 2.270477 -1.736833\nBe Mo Ru\n1 1 2\ndirect\n0.000000 0.000000 -0.000000 Be\n0.500000 -0.000000 -0.000000 Mo\n0.793462 -0.000031 0.000040 Ru\n0.206539 0.000030 -0.000041 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Ru"
],
"chemical_system": "Be-Mo-Ru",
"density": 9.408727211130286,
"density_atomic": 0.07380282922011937,
"volume": 54.198464235969446,
"volume_molar": 8.159769515120846,
"formula_full": "Be1 Mo1 Ru2",
"formula_reduced": "BeMoRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.293095750000001,
"spacegroup": 71
},
{
"id": "jvasp-118479",
"created_at": "2022-09-04T14:38:52.577827Z",
"updated_at": "2022-09-04T14:38:52.577843Z",
"structure_string": "Sb1 H1 O2\n1.0\n3.607124 0.000000 0.000000\n0.000000 3.607124 0.000000\n0.000000 -0.000000 4.165710\nSb H O\n1 1 2\ndirect\n0.500000 0.500000 0.533247 Sb\n0.000000 0.000000 0.831307 H\n0.000000 0.000000 0.593103 O\n0.500000 0.500000 0.052343 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sb",
"H",
"O"
],
"chemical_system": "H-O-Sb",
"density": 4.741497820229401,
"density_atomic": 0.07379871746738935,
"volume": 54.201483945402515,
"volume_molar": 8.160224143002354,
"formula_full": "Sb1 H1 O2",
"formula_reduced": "SbHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.026313275,
"spacegroup": 99
},
{
"id": "jvasp-79617",
"created_at": "2022-09-04T14:37:03.430030Z",
"updated_at": "2022-09-04T14:37:03.430050Z",
"structure_string": "V1 Fe1 Co1 Sb1\n1.0\n-3.003727 -3.003727 -0.000000\n-3.003727 -0.000000 -3.003727\n-0.000000 -3.003727 -3.003727\nV Fe Co Sb\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 V\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 4,
"elements": [
"V",
"Fe",
"Co",
"Sb"
],
"chemical_system": "Co-Fe-Sb-V",
"density": 8.807342836841919,
"density_atomic": 0.07379868453438969,
"volume": 54.201508133062006,
"volume_molar": 8.160227784539604,
"formula_full": "V1 Fe1 Co1 Sb1",
"formula_reduced": "VFeCoSb",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.175314175,
"spacegroup": 216
},
{
"id": "jvasp-8105",
"created_at": "2022-09-04T14:37:00.293575Z",
"updated_at": "2022-09-04T14:37:00.293603Z",
"structure_string": "Li1 Al1 Ge1\n1.0\n3.678838 0.000000 2.123978\n1.226279 3.468441 2.123978\n-0.000000 -0.000000 4.247956\nLi Al Ge\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Li",
"density": 3.26459018517153,
"density_atomic": 0.05534727836976877,
"volume": 54.203207246386114,
"volume_molar": 10.880644789372973,
"formula_full": "Li1 Al1 Ge1",
"formula_reduced": "LiAlGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8162329166666668,
"spacegroup": 216
},
{
"id": "jvasp-15237",
"created_at": "2022-09-04T14:36:49.354911Z",
"updated_at": "2022-09-04T14:36:49.354940Z",
"structure_string": "Hf1 Ga1 Co2\n1.0\n3.678850 -0.000000 2.123986\n1.226284 3.468453 2.123986\n-0.000000 -0.000000 4.247971\nHf Ga Co\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Hf\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250001 Co\n0.749999 0.749999 0.750002 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Hf",
"density": 11.214887954871447,
"density_atomic": 0.07379561454711116,
"volume": 54.203762981693146,
"volume_molar": 8.160567259935835,
"formula_full": "Hf1 Ga1 Co2",
"formula_reduced": "HfGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.77622178125,
"spacegroup": 225
},
{
"id": "jvasp-78518",
"created_at": "2022-09-04T14:37:13.578889Z",
"updated_at": "2022-09-04T14:37:13.578916Z",
"structure_string": "Th1 Co2\n1.0\n3.652508 0.000000 -0.000000\n0.000000 3.652508 -0.000000\n-1.826255 -1.826255 4.063083\nTh Co\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250001 0.750001 0.500000 Co\n0.750001 0.250001 0.500000 Co\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Co"
],
"chemical_system": "Co-Th",
"density": 10.719154174381108,
"density_atomic": 0.05534561388565293,
"volume": 54.20483737334931,
"volume_molar": 10.880972017840607,
"formula_full": "Th1 Co2",
"formula_reduced": "ThCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.966852466666668,
"spacegroup": 139
}
]
}