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=energy_above_hull&page=3400",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3398",
"results": [
{
"id": "jvasp-41192",
"created_at": "2022-09-04T14:37:44.681432Z",
"updated_at": "2022-09-04T14:37:44.681454Z",
"structure_string": "Mn1 Be2 Rh1\n1.0\n0.000000 2.759574 2.759574\n2.759574 0.000000 2.759574\n2.759574 2.759574 -0.000000\nMn Be Rh\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Mn\n0.499999 0.499999 0.499999 Be\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Rh"
],
"chemical_system": "Be-Mn-Rh",
"density": 6.948316112512739,
"density_atomic": 0.095170831169632,
"volume": 42.02968441948795,
"volume_molar": 6.327716891813384,
"formula_full": "Mn1 Be2 Rh1",
"formula_reduced": "MnBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.605090610344828,
"spacegroup": 225
},
{
"id": "jvasp-102334",
"created_at": "2022-09-04T14:36:35.866946Z",
"updated_at": "2022-09-04T14:36:35.866956Z",
"structure_string": "Ho2 Co2 Ru2\n1.0\n4.460466 -0.003429 -2.616452\n-1.458533 4.210236 -2.624535\n-0.000160 0.003429 5.171226\nHo Co Ru\n2 2 2\ndirect\n0.375599 0.125599 0.250001 Ho\n0.624403 0.874402 0.750003 Ho\n0.000000 0.000000 0.500001 Co\n0.000001 0.500001 0.000001 Co\n0.000001 0.500001 0.500002 Ru\n0.500001 0.500000 0.000001 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Ru"
],
"chemical_system": "Co-Ho-Ru",
"density": 11.109101555303491,
"density_atomic": 0.06176701098957917,
"volume": 97.13923183060082,
"volume_molar": 9.749768790035843,
"formula_full": "Ho2 Co2 Ru2",
"formula_reduced": "HoCoRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6051523222222217,
"spacegroup": 74
},
{
"id": "jvasp-94868",
"created_at": "2022-09-04T14:35:45.854537Z",
"updated_at": "2022-09-04T14:35:45.854564Z",
"structure_string": "Ti3 Se4\n1.0\n-0.000000 3.553737 -0.000000\n0.009687 -0.000000 6.438358\n6.032487 -1.776869 -3.157226\nTi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.748238 0.708185 0.496475 Ti\n0.251763 0.291815 0.503526 Ti\n0.632723 0.964183 0.265445 Se\n0.367278 0.035817 0.734556 Se\n0.888118 0.550372 0.776235 Se\n0.111883 0.449628 0.223766 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.5230655128009944,
"density_atomic": 0.05067565709067833,
"volume": 138.13338399291587,
"volume_molar": 11.883695458006716,
"formula_full": "Ti3 Se4",
"formula_reduced": "Ti3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.6052926380952384,
"spacegroup": 12
},
{
"id": "jvasp-15336",
"created_at": "2022-09-04T14:37:00.390796Z",
"updated_at": "2022-09-04T14:37:00.390823Z",
"structure_string": "U2 Sb4 Pd2\n1.0\n4.381691 0.000000 0.000000\n0.000000 4.381691 0.000000\n-0.000000 0.000000 9.614710\nU Sb Pd\n2 4 2\ndirect\n0.500000 0.000000 0.746266 U\n0.000000 0.500000 0.253734 U\n0.500000 0.000000 0.321018 Sb\n0.000000 0.500000 0.678982 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-U",
"density": 10.57824864488688,
"density_atomic": 0.043338143410203575,
"volume": 184.59489425466418,
"volume_molar": 13.895705459736286,
"formula_full": "U2 Sb4 Pd2",
"formula_reduced": "USb2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.605388475,
"spacegroup": 129
},
{
"id": "jvasp-119253",
"created_at": "2022-09-04T14:38:48.441652Z",
"updated_at": "2022-09-04T14:38:48.441683Z",
"structure_string": "Mn4 Sb4 O16\n1.0\n5.473548 -0.014633 -0.973343\n2.267153 6.962895 -2.954955\n0.067147 0.020088 7.896544\nMn Sb O\n4 4 16\ndirect\n0.500199 0.500025 0.999900 Mn\n0.749697 0.749975 0.500063 Mn\n0.999798 0.999971 0.000104 Mn\n0.250268 0.250014 0.499948 Mn\n0.437414 0.187516 0.124963 Sb\n0.687651 0.437468 0.624968 Sb\n0.937554 0.687475 0.125051 Sb\n0.187300 0.937524 0.625045 Sb\n0.489745 0.697938 0.604053 O\n0.240005 0.448014 0.104040 O\n0.009887 0.802069 0.396002 O\n0.760307 0.552042 0.895881 O\n0.510371 0.301997 0.395886 O\n0.259953 0.052026 0.896011 O\n0.447649 0.989258 0.520991 O\n0.927340 0.885509 0.729058 O\n0.947415 0.489762 0.520980 O\n0.697695 0.239282 0.020914 O\n0.739795 0.947946 0.104043 O\n0.677434 0.635397 0.228876 O\n0.427602 0.385479 0.728982 O\n0.177506 0.135572 0.229137 O\n0.197385 0.739734 0.021042 O\n-0.009974 0.198023 0.604057 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 5.294684047926476,
"density_atomic": 0.07948294858602542,
"volume": 301.9515559871875,
"volume_molar": 7.576644886899432,
"formula_full": "Mn4 Sb4 O16",
"formula_reduced": "MnSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.605532890229885,
"spacegroup": 119
},
{
"id": "jvasp-10647",
"created_at": "2022-09-04T14:37:28.635830Z",
"updated_at": "2022-09-04T14:37:28.635859Z",
"structure_string": "Zn2 Cr4 O8\n1.0\n5.938961 -0.003700 -0.002616\n2.966277 5.137741 -0.000000\n2.966277 1.712580 4.843909\nZn Cr O\n2 4 8\ndirect\n0.990024 0.003326 0.003325 Zn\n0.125186 0.624938 0.624938 Zn\n0.257925 0.247358 0.247358 Cr\n0.626765 0.121677 0.625778 Cr\n0.626766 0.625779 0.121676 Cr\n0.626766 0.625778 0.625778 Cr\n0.397139 0.372284 0.372284 O\n0.397139 0.372284 0.858292 O\n0.397140 0.858292 0.372284 O\n0.848906 0.383698 0.383697 O\n0.408147 0.863951 0.863951 O\n0.849370 0.408916 0.870857 O\n0.849370 0.870857 0.408916 O\n0.849370 0.870857 0.870857 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 5.241611268468488,
"density_atomic": 0.09467060077078149,
"volume": 147.8811783807848,
"volume_molar": 6.36115194259825,
"formula_full": "Zn2 Cr4 O8",
"formula_reduced": "ZnCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6056170285714293,
"spacegroup": 160
},
{
"id": "jvasp-38415",
"created_at": "2022-09-04T14:37:57.515082Z",
"updated_at": "2022-09-04T14:37:57.515100Z",
"structure_string": "Pr1 Y3\n1.0\n-2.542326 2.542326 5.041532\n2.542326 -2.542326 5.041532\n2.542326 2.542326 -5.041532\nPr Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750001 0.250000 0.500001 Y\n0.250000 0.750001 0.500001 Y\n0.500000 0.500000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Y"
],
"chemical_system": "Pr-Y",
"density": 5.193081339389949,
"density_atomic": 0.03068845283828679,
"volume": 130.3421850908566,
"volume_molar": 19.623474639577797,
"formula_full": "Pr1 Y3",
"formula_reduced": "PrY3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.60562155,
"spacegroup": 139
},
{
"id": "jvasp-17887",
"created_at": "2022-09-04T14:38:12.216437Z",
"updated_at": "2022-09-04T14:38:12.216466Z",
"structure_string": "Nd1 Si2 Pt2\n1.0\n3.978465 0.000000 -1.580200\n-0.627637 3.928646 -1.580200\n0.005348 0.006270 5.811849\nNd Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.621720 0.621722 0.243441 Si\n0.378279 0.378279 0.756559 Si\n0.250000 0.750001 0.500000 Pt\n0.749999 0.250000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Pt"
],
"chemical_system": "Nd-Pt-Si",
"density": 10.786462945579833,
"density_atomic": 0.05499465626497798,
"volume": 90.91792438721231,
"volume_molar": 10.950410765336587,
"formula_full": "Nd1 Si2 Pt2",
"formula_reduced": "Nd(SiPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6060383,
"spacegroup": 139
},
{
"id": "jvasp-17189",
"created_at": "2022-09-04T14:37:52.802789Z",
"updated_at": "2022-09-04T14:37:52.802800Z",
"structure_string": "Ti2 Pd1\n1.0\n2.979076 0.000000 -0.902184\n-0.273217 2.966521 -0.902184\n0.017955 0.019684 5.428943\nTi Pd\n2 1\ndirect\n0.664686 0.664685 0.329373 Ti\n0.335313 0.335313 0.670628 Ti\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Pd"
],
"chemical_system": "Pd-Ti",
"density": 6.9812054272059365,
"density_atomic": 0.06239075423435425,
"volume": 48.084047657627266,
"volume_molar": 9.65229677682599,
"formula_full": "Ti2 Pd1",
"formula_reduced": "Ti2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 2.606157455555556,
"spacegroup": 139
},
{
"id": "jvasp-78670",
"created_at": "2022-09-04T14:36:45.095176Z",
"updated_at": "2022-09-04T14:36:45.095201Z",
"structure_string": "Mn1 Sb1 Rh1\n1.0\n3.681376 -0.000000 2.125444\n1.227125 3.470836 2.125444\n0.000000 -0.000000 4.250888\nMn Sb Rh\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Mn\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500001 0.499999 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"Rh"
],
"chemical_system": "Mn-Rh-Sb",
"density": 8.548065439134144,
"density_atomic": 0.05523283331541444,
"volume": 54.3155188666151,
"volume_molar": 10.903190002239727,
"formula_full": "Mn1 Sb1 Rh1",
"formula_reduced": "MnSbRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6061621137931037,
"spacegroup": 216
},
{
"id": "jvasp-15586",
"created_at": "2022-09-04T14:36:49.967298Z",
"updated_at": "2022-09-04T14:36:49.967320Z",
"structure_string": "Ca1 Mn2 As2\n1.0\n1.987726 -3.442843 -0.000000\n1.987726 3.442843 0.000000\n-0.000000 -0.000000 6.977058\nCa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.385178 Mn\n0.666668 0.333334 0.614822 Mn\n0.666668 0.333334 0.269000 As\n0.333334 0.666668 0.731000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"As"
],
"chemical_system": "As-Ca-Mn",
"density": 5.213156158881378,
"density_atomic": 0.0523593128601893,
"volume": 95.4939957548924,
"volume_molar": 11.50156568341609,
"formula_full": "Ca1 Mn2 As2",
"formula_reduced": "Ca(MnAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6061996805517245,
"spacegroup": 164
},
{
"id": "jvasp-48416",
"created_at": "2022-09-04T14:36:03.842240Z",
"updated_at": "2022-09-04T14:36:03.842268Z",
"structure_string": "Na2 Co6 O8\n1.0\n5.323426 0.000011 -0.000798\n0.000065 5.581501 -0.000766\n0.001106 0.001213 6.588006\nNa Co O\n2 6 8\ndirect\n0.005541 0.835026 0.999981 Na\n0.505539 0.164975 0.500027 Na\n0.495622 0.187920 0.000018 Co\n0.006173 0.335028 0.255046 Co\n0.506168 0.664964 0.244951 Co\n-0.004380 0.812079 0.499985 Co\n0.506184 0.664969 0.755039 Co\n0.006178 0.335042 0.744957 Co\n0.136724 0.223218 0.000003 O\n0.564732 0.847528 -0.000009 O\n0.150144 0.646693 0.280074 O\n0.650148 0.353295 0.219928 O\n0.064729 0.152470 0.500010 O\n0.636723 0.776785 0.499987 O\n0.650160 0.353306 0.780102 O\n0.150165 0.646697 0.719901 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.4754444443259835,
"density_atomic": 0.08173795096173476,
"volume": 195.74750543343475,
"volume_molar": 7.367618944618806,
"formula_full": "Na2 Co6 O8",
"formula_reduced": "NaCo3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.6062294625,
"spacegroup": 31
}
]
}