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=1584",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1582",
"results": [
{
"id": "jvasp-66996",
"created_at": "2022-09-04T14:36:11.110536Z",
"updated_at": "2022-09-04T14:36:11.110568Z",
"structure_string": "Y1 Be1 Sb1\n1.0\n2.056216 -3.561472 -0.000000\n2.056216 3.561472 0.000000\n0.000000 0.000000 4.248625\nY Be Sb\n1 1 1\ndirect\n0.666668 0.333334 0.309542 Y\n0.000000 0.000000 0.895742 Be\n0.333334 0.666668 0.794718 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Be",
"Sb"
],
"chemical_system": "Be-Sb-Y",
"density": 5.862178823308273,
"density_atomic": 0.048210827990010634,
"volume": 62.22668485638963,
"volume_molar": 12.491261841111292,
"formula_full": "Y1 Be1 Sb1",
"formula_reduced": "YBeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.693095883333333,
"spacegroup": 156
},
{
"id": "jvasp-65203",
"created_at": "2022-09-04T14:36:11.119905Z",
"updated_at": "2022-09-04T14:36:11.119930Z",
"structure_string": "Li4 Be1 Ru1\n1.0\n-0.000000 3.288550 3.288550\n3.288550 -0.000000 3.288550\n3.288550 3.288550 0.000000\nLi Be Ru\n4 1 1\ndirect\n0.127589 0.624137 0.624137 Li\n0.624137 0.624137 0.624137 Li\n0.624137 0.127589 0.624137 Li\n0.624137 0.624137 0.127589 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ru"
],
"chemical_system": "Be-Li-Ru",
"density": 3.2181071139406647,
"density_atomic": 0.08435443222187461,
"volume": 71.12844982725274,
"volume_molar": 7.1390922816718945,
"formula_full": "Li4 Be1 Ru1",
"formula_reduced": "Li4BeRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7434644333333331,
"spacegroup": 216
},
{
"id": "jvasp-15451",
"created_at": "2022-09-04T14:36:11.121820Z",
"updated_at": "2022-09-04T14:36:11.121839Z",
"structure_string": "Nb1 Al1 Ni2\n1.0\n3.676076 -0.000000 2.122383\n1.225359 3.465837 2.122383\n-0.000000 0.000000 4.244766\nNb Al Ni\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Nb\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ni\n0.750001 0.750001 0.749999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Ni"
],
"chemical_system": "Al-Nb-Ni",
"density": 7.28541331572994,
"density_atomic": 0.07396284737984025,
"volume": 54.08120619610249,
"volume_molar": 8.142115904587836,
"formula_full": "Nb1 Al1 Ni2",
"formula_reduced": "NbAlNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.19995175,
"spacegroup": 225
},
{
"id": "jvasp-69340",
"created_at": "2022-09-04T14:36:11.127058Z",
"updated_at": "2022-09-04T14:36:11.127085Z",
"structure_string": "Ba1 Sr2 Sc1\n1.0\n4.194357 0.000000 0.000000\n-0.000000 4.194357 0.000000\n0.000000 0.000000 10.196363\nBa Sr Sc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.700394 Sr\n0.000000 0.000000 0.299605 Sr\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Sc"
],
"chemical_system": "Ba-Sc-Sr",
"density": 3.309610633754811,
"density_atomic": 0.022298924555808033,
"volume": 179.38084816552959,
"volume_molar": 27.006417932525174,
"formula_full": "Ba1 Sr2 Sc1",
"formula_reduced": "BaSr2Sc",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3583784599999999,
"spacegroup": 123
},
{
"id": "jvasp-60966",
"created_at": "2022-09-04T14:36:11.133964Z",
"updated_at": "2022-09-04T14:36:11.133981Z",
"structure_string": "Rb2 Au2 N24\n1.0\n5.344716 5.206203 0.047112\n-5.344716 5.206203 0.047112\n0.000000 0.116361 7.885883\nRb Au N\n2 2 24\ndirect\n0.077774 0.922225 0.749999 Rb\n0.922225 0.077774 0.250000 Rb\n0.511916 0.488083 0.250000 Au\n0.488083 0.511916 0.749999 Au\n0.534480 0.223481 0.179133 N\n0.719363 0.080225 0.584103 N\n0.919774 0.280636 0.915895 N\n0.280636 0.919774 0.415896 N\n0.080225 0.719363 0.084104 N\n0.605228 0.169810 0.632126 N\n0.830189 0.394772 0.867873 N\n0.394772 0.830189 0.367873 N\n0.169810 0.605228 0.132126 N\n0.474385 0.248335 0.681772 N\n0.751664 0.525614 0.818227 N\n0.525614 0.751664 0.318227 N\n0.248335 0.474385 0.181772 N\n0.086188 0.290153 0.537949 N\n0.290154 0.086188 0.037949 N\n0.913811 0.709846 0.462050 N\n0.592751 0.842895 0.893302 N\n0.157104 0.407248 0.606696 N\n0.407248 0.157104 0.106697 N\n0.842895 0.592751 0.393303 N\n0.465519 0.776519 0.820866 N\n0.223481 0.534480 0.679133 N\n0.776519 0.465519 0.320866 N\n0.709846 0.913811 0.962050 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Au",
"N"
],
"chemical_system": "Au-N-Rb",
"density": 3.409730570511837,
"density_atomic": 0.06381017985883353,
"volume": 438.80145866919753,
"volume_molar": 9.437586249282964,
"formula_full": "Rb2 Au2 N24",
"formula_reduced": "RbAuN12",
"formula_anonymous": "ABC12",
"energy_above_hull": 5.450114040714286,
"spacegroup": 15
},
{
"id": "jvasp-65759",
"created_at": "2022-09-04T14:36:11.142241Z",
"updated_at": "2022-09-04T14:36:11.142251Z",
"structure_string": "Ba1 Ti4 Br1\n1.0\n0.000000 4.239039 4.239039\n4.239039 -0.000000 4.239039\n4.239039 4.239039 0.000000\nBa Ti Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.169384 0.610205 0.610205 Ti\n0.610205 0.610205 0.610205 Ti\n0.610205 0.169384 0.610205 Ti\n0.610205 0.610205 0.169384 Ti\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Br"
],
"chemical_system": "Ba-Br-Ti",
"density": 4.454720292856872,
"density_atomic": 0.03938392703571577,
"volume": 152.34641265099924,
"volume_molar": 15.29085902108937,
"formula_full": "Ba1 Ti4 Br1",
"formula_reduced": "BaTi4Br",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8715122347222217,
"spacegroup": 216
},
{
"id": "jvasp-69294",
"created_at": "2022-09-04T14:36:11.155068Z",
"updated_at": "2022-09-04T14:36:11.155093Z",
"structure_string": "Ba1 Y1 Sb2\n1.0\n6.050674 -0.000000 -0.000000\n-0.000000 6.050674 0.000000\n0.000000 0.000000 3.442315\nBa Y Sb\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ba\n0.500000 0.500000 0.499999 Y\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Sb"
],
"chemical_system": "Ba-Sb-Y",
"density": 6.189568915238616,
"density_atomic": 0.031739630969067,
"volume": 126.02540980701207,
"volume_molar": 18.97356892986278,
"formula_full": "Ba1 Y1 Sb2",
"formula_reduced": "BaYSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.265315905,
"spacegroup": 123
},
{
"id": "jvasp-75014",
"created_at": "2022-09-04T14:36:11.160134Z",
"updated_at": "2022-09-04T14:36:11.160162Z",
"structure_string": "Be1 Zn1 Pd1\n1.0\n1.397331 -2.420248 0.000000\n1.397331 2.420248 -0.000000\n0.000000 -0.000000 5.849222\nBe Zn Pd\n1 1 1\ndirect\n0.000000 0.000000 0.984811 Be\n0.666667 0.333333 0.319056 Zn\n0.333333 0.666667 0.696132 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Pd"
],
"chemical_system": "Be-Pd-Zn",
"density": 7.590303996704378,
"density_atomic": 0.07582876630690354,
"volume": 39.56282221258922,
"volume_molar": 7.941762807568897,
"formula_full": "Be1 Zn1 Pd1",
"formula_reduced": "BeZnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5232907333333332,
"spacegroup": 156
},
{
"id": "jvasp-63109",
"created_at": "2022-09-04T14:36:11.096886Z",
"updated_at": "2022-09-04T14:36:11.096902Z",
"structure_string": "Lu4 B16 Ru4\n1.0\n3.533016 0.000000 0.000000\n0.000000 5.895987 0.000000\n0.000000 -0.000000 11.396236\nLu B Ru\n4 16 4\ndirect\n0.000000 0.129260 0.850149 Lu\n0.000000 0.870740 0.149852 Lu\n0.000000 0.370740 0.350149 Lu\n0.000000 0.629261 0.649852 Lu\n0.500001 0.976329 0.692850 B\n0.500001 0.023672 0.307150 B\n0.500001 0.523672 0.192850 B\n0.500001 0.476328 0.807151 B\n0.500001 0.886987 0.547518 B\n0.500001 0.113013 0.452483 B\n0.500001 0.613013 0.047518 B\n0.500001 0.386987 0.952483 B\n0.500001 0.865295 0.970374 B\n0.500001 0.134706 0.029626 B\n0.500001 0.634706 0.470374 B\n0.500001 0.365294 0.529626 B\n0.500001 0.792066 0.813916 B\n0.500001 0.207935 0.186085 B\n0.500001 0.707935 0.313915 B\n0.500001 0.292066 0.686085 B\n0.000000 0.142050 0.593613 Ru\n0.000000 0.857951 0.406387 Ru\n0.000000 0.357951 0.093613 Ru\n0.000000 0.642050 0.906387 Ru\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"B",
"Ru"
],
"chemical_system": "B-Lu-Ru",
"density": 8.933437595625099,
"density_atomic": 0.10109919229165887,
"volume": 237.39062059727362,
"volume_molar": 5.956665551418904,
"formula_full": "Lu4 B16 Ru4",
"formula_reduced": "LuB4Ru",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.281256097222223,
"spacegroup": 55
},
{
"id": "jvasp-75537",
"created_at": "2022-09-04T14:36:11.129232Z",
"updated_at": "2022-09-04T14:36:11.129252Z",
"structure_string": "Ta1 As1 Os2\n1.0\n-0.000000 3.169023 3.169023\n3.169023 0.000000 3.169023\n3.169023 3.169023 -0.000000\nTa As Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ta\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.749999 0.749999 0.749999 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"As",
"Os"
],
"chemical_system": "As-Os-Ta",
"density": 16.600645365446194,
"density_atomic": 0.06284255328362696,
"volume": 63.65113750147644,
"volume_molar": 9.582902739200147,
"formula_full": "Ta1 As1 Os2",
"formula_reduced": "TaAsOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.3356277375,
"spacegroup": 216
},
{
"id": "jvasp-74718",
"created_at": "2022-09-04T14:36:02.759577Z",
"updated_at": "2022-09-04T14:36:02.759595Z",
"structure_string": "Be2 Zn1 Co1\n1.0\n-1.627710 1.627710 3.736510\n1.627710 -1.627710 3.736510\n1.627710 1.627710 -3.736510\nBe Zn Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Co"
],
"chemical_system": "Be-Co-Zn",
"density": 5.970035069100336,
"density_atomic": 0.10101358575557882,
"volume": 39.598633887512364,
"volume_molar": 5.961713679357636,
"formula_full": "Be2 Zn1 Co1",
"formula_reduced": "Be2ZnCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.323533375,
"spacegroup": 119
},
{
"id": "jvasp-63031",
"created_at": "2022-09-04T14:36:11.140725Z",
"updated_at": "2022-09-04T14:36:11.140751Z",
"structure_string": "Ce1 Si2 Au2\n1.0\n-2.178421 2.178421 5.086108\n2.178421 -2.178421 5.086108\n2.178421 2.178421 -5.086108\nCe Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.614472 0.614472 0.000000 Si\n0.385529 0.385529 0.000000 Si\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Au"
],
"chemical_system": "Au-Ce-Si",
"density": 10.151586549900712,
"density_atomic": 0.051789391132187654,
"volume": 96.54486933893392,
"volume_molar": 11.628135856297364,
"formula_full": "Ce1 Si2 Au2",
"formula_reduced": "Ce(SiAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.872933568,
"spacegroup": 139
}
]
}