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=3506",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3504",
"results": [
{
"id": "jvasp-80003",
"created_at": "2022-09-04T14:37:12.282002Z",
"updated_at": "2022-09-04T14:37:12.282021Z",
"structure_string": "Yb1 Dy1 Rh2\n1.0\n0.000000 3.356886 3.356886\n3.356886 -0.000000 3.356886\n3.356886 3.356886 0.000000\nYb Dy Rh\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Rh\n0.500002 0.500002 0.500002 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Dy",
"Rh"
],
"chemical_system": "Dy-Rh-Yb",
"density": 11.881964941914587,
"density_atomic": 0.05287132777833435,
"volume": 75.65537254464645,
"volume_molar": 11.39018256785251,
"formula_full": "Yb1 Dy1 Rh2",
"formula_reduced": "YbDyRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3820983,
"spacegroup": 225
},
{
"id": "jvasp-109568",
"created_at": "2022-09-04T14:38:01.339044Z",
"updated_at": "2022-09-04T14:38:01.339054Z",
"structure_string": "Mg1 S3\n1.0\n3.638815 -0.000000 0.000000\n0.000000 4.089404 0.000000\n0.000000 -0.000000 5.084053\nMg S\n1 3\ndirect\n0.134734 0.000000 0.500000 Mg\n0.569716 0.500000 -0.000000 S\n0.314518 0.000000 -0.000000 S\n0.647700 0.500000 0.500000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 2.6448806621246845,
"density_atomic": 0.052872510028949965,
"volume": 75.6536808600505,
"volume_molar": 11.38992787878355,
"formula_full": "Mg1 S3",
"formula_reduced": "MgS3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2990750000000002,
"spacegroup": 25
},
{
"id": "jvasp-8308",
"created_at": "2022-09-04T14:36:51.079970Z",
"updated_at": "2022-09-04T14:36:51.079991Z",
"structure_string": "Mg1 Ti2 N2\n1.0\n3.124842 0.000000 0.000000\n0.000000 3.124842 0.000000\n0.000000 0.000000 7.745777\nMg Ti N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.185483 Ti\n0.500000 0.500000 0.814518 Ti\n0.000000 0.500000 0.674739 N\n0.500000 0.000000 0.325262 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"N"
],
"chemical_system": "Mg-N-Ti",
"density": 3.250449577384353,
"density_atomic": 0.06610721911652792,
"volume": 75.6347047542031,
"volume_molar": 9.109656767417045,
"formula_full": "Mg1 Ti2 N2",
"formula_reduced": "Mg(TiN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.485804443333333,
"spacegroup": 115
},
{
"id": "jvasp-15676",
"created_at": "2022-09-04T14:35:41.532693Z",
"updated_at": "2022-09-04T14:35:41.532724Z",
"structure_string": "Ce1 B2 Rh2 C1\n1.0\n3.629200 -0.000000 -1.286203\n-0.455835 3.600459 -1.286203\n0.006868 0.007792 5.782624\nCe B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.353432 0.353432 0.706865 B\n0.646567 0.646568 0.293135 B\n0.750000 0.250000 0.500000 Rh\n0.249999 0.750000 0.500000 Rh\n0.499999 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ce-Rh",
"density": 8.333310221556127,
"density_atomic": 0.07933039335045386,
"volume": 75.63305495655497,
"volume_molar": 7.591215050953163,
"formula_full": "Ce1 B2 Rh2 C1",
"formula_reduced": "CeB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.136002777777779,
"spacegroup": 139
},
{
"id": "jvasp-1960",
"created_at": "2022-09-04T14:36:36.646556Z",
"updated_at": "2022-09-04T14:36:36.646581Z",
"structure_string": "Ca2 N1 Cl1\n1.0\n3.524067 0.005657 5.931966\n1.633444 3.122649 5.931966\n0.009326 0.005657 6.899795\nCa N Cl\n2 1 1\ndirect\n0.770963 0.770965 0.770964 Ca\n0.229037 0.229037 0.229037 Ca\n0.500000 0.500001 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"N",
"Cl"
],
"chemical_system": "Ca-Cl-N",
"density": 2.845905330589379,
"density_atomic": 0.05289002025639256,
"volume": 75.62863429829258,
"volume_molar": 11.386157030772043,
"formula_full": "Ca2 N1 Cl1",
"formula_reduced": "Ca2NCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6446795393749998,
"spacegroup": 166
},
{
"id": "jvasp-39868",
"created_at": "2022-09-04T14:37:40.561970Z",
"updated_at": "2022-09-04T14:37:40.561989Z",
"structure_string": "Tm1 Np1 Ru2\n1.0\n0.000000 3.356487 3.356487\n3.356487 0.000000 3.356487\n3.356487 3.356487 -0.000000\nTm Np Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Tm\n0.249999 0.249999 0.249999 Np\n0.000000 0.000000 0.000000 Ru\n0.499999 0.499999 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Np",
"Ru"
],
"chemical_system": "Np-Ru-Tm",
"density": 13.351214633972326,
"density_atomic": 0.052890185144039405,
"volume": 75.628398522458,
"volume_molar": 11.386121533890453,
"formula_full": "Tm1 Np1 Ru2",
"formula_reduced": "TmNpRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2701263125,
"spacegroup": 225
},
{
"id": "jvasp-40644",
"created_at": "2022-09-04T14:37:53.424607Z",
"updated_at": "2022-09-04T14:37:53.424630Z",
"structure_string": "Sm1 In1 Rh2\n1.0\n-0.000015 3.356563 3.356991\n3.356145 0.000180 3.356796\n3.356191 3.356415 0.000133\nSm In Rh\n1 1 2\ndirect\n0.749987 0.750003 0.750003 Sm\n0.250011 0.249993 0.249999 In\n0.000015 0.000003 0.999981 Rh\n0.499983 0.499999 0.500010 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"In",
"Rh"
],
"chemical_system": "In-Rh-Sm",
"density": 10.34147917378471,
"density_atomic": 0.052891123378815144,
"volume": 75.627056951529,
"volume_molar": 11.385919555666103,
"formula_full": "Sm1 In1 Rh2",
"formula_reduced": "SmInRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.53570121125,
"spacegroup": 225
},
{
"id": "jvasp-15650",
"created_at": "2022-09-04T14:35:46.549321Z",
"updated_at": "2022-09-04T14:35:46.549343Z",
"structure_string": "Ca2 Cu1 O3\n1.0\n3.154500 0.000000 -0.802188\n-0.277163 3.643595 -1.089907\n-0.003865 -0.024912 6.588228\nCa Cu O\n2 1 3\ndirect\n0.350662 0.850662 0.701325 Ca\n0.649337 0.149337 0.298674 Ca\n0.000000 0.499999 -0.000000 Cu\n0.000000 0.000000 0.000000 O\n0.839069 0.339070 0.678139 O\n0.160930 0.660929 0.321860 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.209500814103924,
"density_atomic": 0.07934328636265037,
"volume": 75.62076484425036,
"volume_molar": 7.589981504515586,
"formula_full": "Ca2 Cu1 O3",
"formula_reduced": "Ca2CuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6913902983333332,
"spacegroup": 71
},
{
"id": "jvasp-15941",
"created_at": "2022-09-04T14:37:52.459658Z",
"updated_at": "2022-09-04T14:37:52.459684Z",
"structure_string": "U2 Cr1 N3\n1.0\n3.191768 -0.000000 -0.819290\n-0.268460 3.561053 -1.045858\n0.005657 0.008936 6.648890\nU Cr N\n2 1 3\ndirect\n0.645170 0.645169 0.290338 U\n0.354831 0.354831 0.709662 U\n0.000000 0.000000 0.000000 Cr\n0.830973 0.830972 0.661944 N\n0.169028 0.169028 0.338056 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Cr",
"N"
],
"chemical_system": "Cr-N-U",
"density": 12.518259972516146,
"density_atomic": 0.07934414234574452,
"volume": 75.6199490298202,
"volume_molar": 7.589899622026711,
"formula_full": "U2 Cr1 N3",
"formula_reduced": "U2CrN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.726703191666667,
"spacegroup": 71
},
{
"id": "jvasp-79166",
"created_at": "2022-09-04T14:37:51.537153Z",
"updated_at": "2022-09-04T14:37:51.537178Z",
"structure_string": "Mg3 Mo1\n1.0\n6.131840 0.256632 0.000000\n-1.421834 2.462690 -0.000000\n0.000000 0.000000 4.889066\nMg Mo\n3 1\ndirect\n0.650994 0.650993 0.250000 Mg\n0.329602 0.329602 0.750001 Mg\n0.867956 0.367955 0.750001 Mg\n0.151448 0.651448 0.250000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo",
"density": 3.708235301290895,
"density_atomic": 0.05290104518857499,
"volume": 75.61287278429572,
"volume_molar": 11.383784079375047,
"formula_full": "Mg3 Mo1",
"formula_reduced": "Mg3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9385082625,
"spacegroup": 25
},
{
"id": "jvasp-34311",
"created_at": "2022-09-04T14:37:07.937548Z",
"updated_at": "2022-09-04T14:37:07.937576Z",
"structure_string": "H6 C1 N1 F1\n1.0\n3.979804 -0.017716 3.237012\n1.529381 3.674254 3.237012\n-0.026692 -0.017716 5.129948\nH C N F\n6 1 1 1\ndirect\n0.225813 0.615187 0.225813 H\n0.615188 0.225811 0.225813 H\n0.656634 0.656632 0.253236 H\n0.225813 0.225811 0.615189 H\n0.253236 0.656632 0.656635 H\n0.656634 0.253233 0.656635 H\n0.493964 0.493962 0.493965 C\n0.382532 0.382530 0.382532 N\n0.991654 0.991650 0.991654 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N",
"density": 1.1214090014391354,
"density_atomic": 0.11902751149922798,
"volume": 75.61277125463867,
"volume_molar": 5.059452797212399,
"formula_full": "H6 C1 N1 F1",
"formula_reduced": "H6CNF",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.4150492813888897,
"spacegroup": 160
},
{
"id": "jvasp-51304",
"created_at": "2022-09-04T14:37:01.166444Z",
"updated_at": "2022-09-04T14:37:01.166464Z",
"structure_string": "Tl1 Co1 As2\n1.0\n-0.000000 3.356135 3.356135\n3.356135 0.000000 3.356135\n3.356135 3.356135 0.000000\nTl Co As\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 Co\n0.749999 0.749999 0.749999 As\n0.250000 0.250000 0.250000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Co",
"As"
],
"chemical_system": "As-Co-Tl",
"density": 9.074418075339485,
"density_atomic": 0.0529068286621401,
"volume": 75.60460721514353,
"volume_molar": 11.382539668852647,
"formula_full": "Tl1 Co1 As2",
"formula_reduced": "TlCoAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.96987425,
"spacegroup": 225
}
]
}