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=nelements&page=491",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=489",
"results": [
{
"id": "jvasp-92178",
"created_at": "2022-09-04T14:35:56.796960Z",
"updated_at": "2022-09-04T14:35:56.796986Z",
"structure_string": "Zr4 Sn4\n1.0\n5.812225 -0.000000 0.000000\n-0.000000 5.254411 0.000000\n0.000000 0.000000 5.958457\nZr Sn\n4 4\ndirect\n0.103541 0.250000 0.875761 Zr\n0.603540 0.250000 0.624240 Zr\n0.396459 0.750000 0.375761 Zr\n0.896459 0.750000 0.124240 Zr\n0.114554 0.250000 0.375072 Sn\n0.614554 0.250000 0.124928 Sn\n0.385445 0.750000 0.875073 Sn\n0.885445 0.750000 0.624928 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.662872535328522,
"density_atomic": 0.043963242780715665,
"volume": 181.9701981471934,
"volume_molar": 13.698126842093624,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.3797631,
"spacegroup": 62
},
{
"id": "jvasp-96918",
"created_at": "2022-09-04T14:35:53.229873Z",
"updated_at": "2022-09-04T14:35:53.229896Z",
"structure_string": "Ga12 Ir6\n1.0\n3.914350 -0.000000 0.000000\n-1.957175 6.583305 -0.000000\n0.000000 -0.000000 11.027391\nGa Ir\n12 6\ndirect\n0.442114 0.884225 0.605396 Ga\n0.178447 0.356893 0.018731 Ga\n0.821554 0.643106 0.981269 Ga\n0.958305 0.916608 0.250000 Ga\n0.765820 0.531639 0.250000 Ga\n0.234181 0.468361 0.750000 Ga\n0.041696 0.083392 0.750000 Ga\n0.821554 0.643106 0.518731 Ga\n0.442114 0.884225 0.894604 Ga\n0.557887 0.115774 0.105396 Ga\n0.557887 0.115774 0.394604 Ga\n0.178447 0.356893 0.481269 Ga\n0.146655 0.293310 0.250000 Ir\n0.639962 0.279923 0.621971 Ir\n0.360039 0.720076 0.378029 Ir\n0.360039 0.720076 0.121971 Ir\n0.639962 0.279923 0.878028 Ir\n0.853346 0.706689 0.750000 Ir\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir",
"density": 11.62842690951116,
"density_atomic": 0.06334263124676089,
"volume": 284.16880773200364,
"volume_molar": 9.50724755424168,
"formula_full": "Ga12 Ir6",
"formula_reduced": "Ga2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9700385833333334,
"spacegroup": 63
},
{
"id": "jvasp-14564",
"created_at": "2022-09-04T14:35:56.920333Z",
"updated_at": "2022-09-04T14:35:56.920348Z",
"structure_string": "Er1 Au2\n1.0\n3.461054 0.000000 -1.314437\n-0.499197 3.424865 -1.314437\n-0.005419 -0.006265 5.199614\nEr Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.664208 0.664208 0.328418 Au\n0.335789 0.335789 0.671578 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Au"
],
"chemical_system": "Au-Er",
"density": 15.133508220513283,
"density_atomic": 0.0487192053613781,
"volume": 61.57735902602045,
"volume_molar": 12.360917456125057,
"formula_full": "Er1 Au2",
"formula_reduced": "ErAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3412117133333333,
"spacegroup": 139
},
{
"id": "jvasp-90605",
"created_at": "2022-09-04T14:35:59.774093Z",
"updated_at": "2022-09-04T14:35:59.774104Z",
"structure_string": "Mg6 Al2\n1.0\n6.186984 -0.000000 0.000000\n-3.093493 5.358086 -0.000000\n0.000000 -0.000000 5.066165\nMg Al\n6 2\ndirect\n0.662051 0.831027 0.750001 Mg\n0.168974 0.337949 0.750001 Mg\n0.168975 0.831027 0.750001 Mg\n0.831026 0.662052 0.250000 Mg\n0.831026 0.168974 0.250000 Mg\n0.337949 0.168974 0.250000 Mg\n0.666667 0.333333 0.750001 Al\n0.333333 0.666668 0.250000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.9754294784832427,
"density_atomic": 0.04763454090286404,
"volume": 167.94535747313137,
"volume_molar": 12.642382283646437,
"formula_full": "Mg6 Al2",
"formula_reduced": "Mg3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3132568285714285,
"spacegroup": 194
},
{
"id": "jvasp-92274",
"created_at": "2022-09-04T14:35:53.069644Z",
"updated_at": "2022-09-04T14:35:53.069669Z",
"structure_string": "Ce2 Mg6\n1.0\n5.193066 0.000000 0.000000\n0.000000 5.193066 0.000000\n0.000000 -0.000000 7.345567\nCe Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\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": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 3.571485493050799,
"density_atomic": 0.040384710899132266,
"volume": 198.0947695770652,
"volume_molar": 14.911932327660653,
"formula_full": "Ce2 Mg6",
"formula_reduced": "CeMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3660975714285716,
"spacegroup": 225
},
{
"id": "jvasp-11965",
"created_at": "2022-09-04T14:35:53.091318Z",
"updated_at": "2022-09-04T14:35:53.091335Z",
"structure_string": "Al20 Co8\n1.0\n7.695706 0.000000 -0.000000\n-3.847852 6.664676 -0.000000\n0.000000 -0.000000 7.597702\nAl Co\n20 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.194285 0.805716 0.560110 Al\n0.194284 0.388568 0.560110 Al\n0.611433 0.805716 0.560110 Al\n0.388568 0.194284 0.060110 Al\n0.805717 0.611432 0.439890 Al\n0.805717 0.194284 0.060110 Al\n0.194285 0.805716 0.939890 Al\n0.611433 0.805716 0.939890 Al\n0.388568 0.194284 0.439890 Al\n0.805717 0.611432 0.060110 Al\n0.194284 0.388568 0.939890 Al\n0.805717 0.194284 0.439890 Al\n0.468176 0.936352 0.250000 Al\n0.531825 0.468176 0.750000 Al\n0.936353 0.468176 0.750000 Al\n0.000000 0.000000 0.500000 Al\n0.468176 0.531825 0.250000 Al\n0.531825 0.063648 0.750000 Al\n0.063649 0.531825 0.250000 Al\n0.128617 0.871384 0.250000 Co\n0.333334 0.666667 0.750000 Co\n0.666668 0.333333 0.250000 Co\n0.128617 0.257233 0.250000 Co\n0.871384 0.128617 0.750000 Co\n0.257233 0.128617 0.750000 Co\n0.742768 0.871384 0.250000 Co\n0.871384 0.742767 0.750000 Co\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 4.308557246616491,
"density_atomic": 0.07185355610379734,
"volume": 389.6814788060329,
"volume_molar": 8.38113113191031,
"formula_full": "Al20 Co8",
"formula_reduced": "Al5Co2",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.3789794000000004,
"spacegroup": 194
},
{
"id": "jvasp-28399",
"created_at": "2022-09-04T14:36:08.481900Z",
"updated_at": "2022-09-04T14:36:08.481928Z",
"structure_string": "W2 S4\n1.0\n3.192810 -0.000000 -0.000000\n1.596404 2.765054 0.000000\n0.000000 -0.000000 21.505602\nW S\n2 4\ndirect\n0.666666 0.666666 0.439152 W\n0.333334 0.333333 0.147665 W\n0.666666 0.666666 0.074468 S\n0.333334 0.333333 0.365895 S\n0.666666 0.666666 0.220923 S\n0.333334 0.333333 0.512349 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"S"
],
"chemical_system": "S-W",
"density": 4.337604379773127,
"density_atomic": 0.03160261016882691,
"volume": 189.8577354195399,
"volume_molar": 19.055833451188448,
"formula_full": "W2 S4",
"formula_reduced": "WS2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.233513333333333,
"spacegroup": 164
},
{
"id": "jvasp-86184",
"created_at": "2022-09-04T14:36:06.357375Z",
"updated_at": "2022-09-04T14:36:06.357395Z",
"structure_string": "Lu1 Ag4\n1.0\n3.802106 0.000095 1.676307\n1.901602 4.750606 0.837179\n-0.014806 -0.001066 5.184586\nLu Ag\n1 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.597910 0.599647 0.204558 Ag\n0.802499 0.795362 0.599557 Ag\n0.197500 0.204639 0.400445 Ag\n0.402089 0.400354 0.795444 Ag\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Lu",
"Ag"
],
"chemical_system": "Ag-Lu",
"density": 10.740076540748051,
"density_atomic": 0.05332619389748996,
"volume": 93.76255146976368,
"volume_molar": 11.293025659353235,
"formula_full": "Lu1 Ag4",
"formula_reduced": "LuAg4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0035589579999999,
"spacegroup": 87
},
{
"id": "jvasp-14932",
"created_at": "2022-09-04T14:36:06.943887Z",
"updated_at": "2022-09-04T14:36:06.943921Z",
"structure_string": "Ti4 B4\n1.0\n3.051427 0.000000 0.000000\n0.000000 4.569460 0.000000\n0.000000 0.000000 6.122341\nTi B\n4 4\ndirect\n0.250000 0.378627 0.676849 Ti\n0.750001 0.621373 0.323151 Ti\n0.750001 0.878627 0.823151 Ti\n0.250000 0.121373 0.176849 Ti\n0.250000 0.902224 0.529904 B\n0.750001 0.097776 0.470096 B\n0.750001 0.402224 0.970096 B\n0.250000 0.597776 0.029904 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 4.565612113470088,
"density_atomic": 0.09371402846852164,
"volume": 85.36608798849346,
"volume_molar": 6.4260824749656615,
"formula_full": "Ti4 B4",
"formula_reduced": "TiB",
"formula_anonymous": "AB",
"energy_above_hull": 2.352550458333333,
"spacegroup": 62
},
{
"id": "jvasp-60799",
"created_at": "2022-09-04T14:36:06.925760Z",
"updated_at": "2022-09-04T14:36:06.925781Z",
"structure_string": "Ga8 Au4\n1.0\n3.764630 0.000000 0.000000\n0.000000 7.279158 0.000000\n0.000000 0.000000 8.271043\nGa Au\n8 4\ndirect\n0.250000 0.870903 0.565970 Ga\n0.750000 0.629098 0.065970 Ga\n0.750000 0.129097 0.434030 Ga\n0.250000 0.370903 0.934030 Ga\n0.250000 0.456496 0.348230 Ga\n0.750000 0.043504 0.848230 Ga\n0.750000 0.543505 0.651769 Ga\n0.250000 0.956496 0.151770 Ga\n0.250000 0.244388 0.639812 Au\n0.750000 0.255612 0.139812 Au\n0.750000 0.755612 0.360188 Au\n0.250000 0.744388 0.860188 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 9.858652950975932,
"density_atomic": 0.05294409418628188,
"volume": 226.65417520939036,
"volume_molar": 11.374527891272095,
"formula_full": "Ga8 Au4",
"formula_reduced": "Ga2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.02905,
"spacegroup": 62
},
{
"id": "jvasp-14880",
"created_at": "2022-09-04T14:35:57.462983Z",
"updated_at": "2022-09-04T14:35:57.463009Z",
"structure_string": "Na4 Hg4\n1.0\n5.276650 0.000000 0.000000\n-0.000000 5.949696 -2.450703\n-0.000000 0.028910 6.434594\nNa Hg\n4 4\ndirect\n0.250000 0.160370 0.839630 Na\n0.750000 0.839631 0.160370 Na\n0.250000 0.629487 0.370514 Na\n0.750000 0.370514 0.629486 Na\n0.750000 0.874961 0.673450 Hg\n0.250000 0.125040 0.326549 Hg\n0.250000 0.673450 0.874960 Hg\n0.750000 0.326550 0.125040 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 7.337775101616515,
"density_atomic": 0.03952872362712618,
"volume": 202.38447553894918,
"volume_molar": 15.234847491679112,
"formula_full": "Na4 Hg4",
"formula_reduced": "NaHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3959892857142857,
"spacegroup": 63
},
{
"id": "jvasp-20094",
"created_at": "2022-09-04T14:36:08.358806Z",
"updated_at": "2022-09-04T14:36:08.358835Z",
"structure_string": "Co6 Mo2\n1.0\n2.549520 -4.415899 0.000000\n2.549520 4.415899 -0.000000\n0.000000 0.000000 4.074733\nCo Mo\n6 2\ndirect\n0.323708 0.161854 0.749999 Co\n0.161854 0.838146 0.250000 Co\n0.161854 0.323708 0.250000 Co\n0.838146 0.676292 0.749999 Co\n0.838146 0.161854 0.749999 Co\n0.676292 0.838146 0.250000 Co\n0.333333 0.666667 0.749999 Mo\n0.666667 0.333333 0.250000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Mo"
],
"chemical_system": "Co-Mo",
"density": 9.872350399725898,
"density_atomic": 0.08719333317125523,
"volume": 91.75013397282692,
"volume_molar": 6.906652769165271,
"formula_full": "Co6 Mo2",
"formula_reduced": "Co3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 3.93114965,
"spacegroup": 194
}
]
}