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=updated_at&page=664",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=662",
"results": [
{
"id": "jvasp-106012",
"created_at": "2022-09-04T14:36:02.733434Z",
"updated_at": "2022-09-04T14:36:02.733454Z",
"structure_string": "Pr2 Ga5 Cu3\n1.0\n4.255500 0.000000 0.000000\n0.000000 4.255500 0.000000\n0.000000 0.000000 10.255638\nPr Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.743939 Pr\n0.000000 0.500000 0.256061 Pr\n0.000000 0.500000 0.863594 Ga\n0.500000 0.000000 0.381026 Ga\n0.500000 0.000000 0.136406 Ga\n0.000000 0.500000 0.618975 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Pr",
"density": 7.341156964358652,
"density_atomic": 0.05384385269276619,
"volume": 185.72222268454945,
"volume_molar": 11.184453672664219,
"formula_full": "Pr2 Ga5 Cu3",
"formula_reduced": "Pr2Ga5Cu3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-107746",
"created_at": "2022-09-04T14:36:02.734728Z",
"updated_at": "2022-09-04T14:36:02.734748Z",
"structure_string": "Nb2 Ru1\n1.0\n6.752170 0.005437 1.894604\n6.219734 2.630641 0.946789\n-0.001004 0.004950 2.841393\nNb Ru\n2 1\ndirect\n0.339430 0.339431 0.660568 Nb\n0.660569 0.660570 0.339430 Nb\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"Ru"
],
"chemical_system": "Nb-Ru",
"density": 9.450870639727444,
"density_atomic": 0.059516793532652525,
"volume": 50.405941280323155,
"volume_molar": 10.118389117680023,
"formula_full": "Nb2 Ru1",
"formula_reduced": "Nb2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 4.5561631,
"spacegroup": 69
},
{
"id": "jvasp-64881",
"created_at": "2022-09-04T14:36:02.738553Z",
"updated_at": "2022-09-04T14:36:02.738573Z",
"structure_string": "Be2 Si1 Bi1\n1.0\n-1.842851 1.842851 5.166003\n1.842851 -1.842851 5.166003\n1.842851 1.842851 -5.166003\nBe Si Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Si\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Bi"
],
"chemical_system": "Be-Bi-Si",
"density": 6.03598136204416,
"density_atomic": 0.056998693449982984,
"volume": 70.17704718986316,
"volume_molar": 10.565401407462959,
"formula_full": "Be2 Si1 Bi1",
"formula_reduced": "Be2SiBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.140076275,
"spacegroup": 119
},
{
"id": "jvasp-74371",
"created_at": "2022-09-04T14:36:02.740965Z",
"updated_at": "2022-09-04T14:36:02.740993Z",
"structure_string": "Be2 Ni1 W1\n1.0\n-1.752735 1.752735 3.588994\n1.752735 -1.752735 3.588994\n1.752735 1.752735 -3.588994\nBe Ni W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.499999 0.499999 0.000000 Ni\n0.750001 0.250000 0.500001 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"W"
],
"chemical_system": "Be-Ni-W",
"density": 9.810426182339354,
"density_atomic": 0.09069738164632656,
"volume": 44.10270646619057,
"volume_molar": 6.639817655909045,
"formula_full": "Be2 Ni1 W1",
"formula_reduced": "Be2NiW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.17120115,
"spacegroup": 119
},
{
"id": "jvasp-74585",
"created_at": "2022-09-04T14:36:02.745417Z",
"updated_at": "2022-09-04T14:36:02.745448Z",
"structure_string": "Be2 Cr1 Bi1\n1.0\n-1.852656 1.852656 4.137905\n1.852656 -1.852656 4.137905\n1.852656 1.852656 -4.137905\nBe Cr Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Cr\n0.499999 0.499999 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Bi"
],
"chemical_system": "Be-Bi-Cr",
"density": 8.155011241828579,
"density_atomic": 0.07040928104745323,
"volume": 56.810692290752826,
"volume_molar": 8.553049641199008,
"formula_full": "Be2 Cr1 Bi1",
"formula_reduced": "Be2CrBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5037909750000003,
"spacegroup": 119
},
{
"id": "jvasp-71601",
"created_at": "2022-09-04T14:36:02.749969Z",
"updated_at": "2022-09-04T14:36:02.749990Z",
"structure_string": "Be2 W1 Se1\n1.0\n3.240356 -0.000000 0.000000\n0.000000 3.240356 0.000000\n-0.000000 -0.000000 4.927614\nBe W Se\n2 1 1\ndirect\n0.000000 0.000000 0.714661 Be\n0.000000 0.000000 0.285338 Be\n0.500001 0.500001 0.500000 W\n0.500001 0.500001 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"W",
"Se"
],
"chemical_system": "Be-Se-W",
"density": 9.012841804299644,
"density_atomic": 0.07731038894027252,
"volume": 51.73948876509041,
"volume_molar": 7.789562104845325,
"formula_full": "Be2 W1 Se1",
"formula_reduced": "Be2WSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.300328891666667,
"spacegroup": 123
},
{
"id": "jvasp-68659",
"created_at": "2022-09-04T14:36:02.753431Z",
"updated_at": "2022-09-04T14:36:02.753449Z",
"structure_string": "Ti1 Be1 Bi1\n1.0\n1.600753 -2.772586 -0.000000\n1.600753 2.772586 0.000000\n0.000000 0.000000 6.932742\nTi Be Bi\n1 1 1\ndirect\n0.666666 0.333332 0.300671 Ti\n0.000000 0.000000 0.043997 Be\n0.333332 0.666666 0.655332 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Ti",
"density": 7.17392828120459,
"density_atomic": 0.048750252597428,
"volume": 61.538142679455085,
"volume_molar": 12.353045244154735,
"formula_full": "Ti1 Be1 Bi1",
"formula_reduced": "TiBeBi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1262762444444445,
"spacegroup": 156
},
{
"id": "jvasp-71008",
"created_at": "2022-09-04T14:36:02.757118Z",
"updated_at": "2022-09-04T14:36:02.757144Z",
"structure_string": "Be1 Os2 Cl1\n1.0\n2.841242 -0.000000 -0.000000\n0.000000 2.841242 0.000000\n-0.000000 0.000000 7.750075\nBe Os Cl\n1 2 1\ndirect\n0.000000 0.000000 0.424690 Be\n0.000000 0.000000 0.029820 Os\n0.500000 0.500000 0.252151 Os\n0.500000 0.500000 0.793340 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Os",
"Cl"
],
"chemical_system": "Be-Cl-Os",
"density": 11.278184875929641,
"density_atomic": 0.06393484758323664,
"volume": 62.56369024407868,
"volume_molar": 9.419183727872014,
"formula_full": "Be1 Os2 Cl1",
"formula_reduced": "BeOs2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.538280041875,
"spacegroup": 99
},
{
"id": "jvasp-48411",
"created_at": "2022-09-04T14:36:02.757140Z",
"updated_at": "2022-09-04T14:36:02.757159Z",
"structure_string": "Li3 Ti1 V2 O6\n1.0\n2.902388 0.001945 -0.000098\n-0.003836 5.937395 -0.068112\n-1.450072 -1.553351 6.277763\nLi Ti V O\n3 1 2 6\ndirect\n0.331349 0.166728 0.666660 Li\n0.000064 0.495426 0.004117 Li\n0.662613 0.837965 0.329174 Li\n0.331329 0.666720 0.666656 Ti\n0.665675 0.336314 0.335346 V\n0.996968 0.997091 0.997949 V\n0.493732 0.753506 0.991470 O\n0.160258 0.093814 0.324504 O\n0.168916 0.579904 0.341833 O\n0.829677 0.425097 0.663343 O\n0.502387 0.239597 0.008791 O\n0.832975 0.908341 0.669952 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.10336366601317,
"density_atomic": 0.11124022604878375,
"volume": 107.87464594630966,
"volume_molar": 5.413635852698668,
"formula_full": "Li3 Ti1 V2 O6",
"formula_reduced": "Li3TiV2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.7430514777777777,
"spacegroup": 12
},
{
"id": "jvasp-85304",
"created_at": "2022-09-04T14:36:02.759118Z",
"updated_at": "2022-09-04T14:36:02.759134Z",
"structure_string": "Ce3 As6 Pd9\n1.0\n4.141426 -0.000000 0.000000\n-2.070712 7.973242 -2.559440\n0.000000 0.049173 10.060548\nCe As Pd\n3 6 9\ndirect\n0.156021 0.312039 0.703852 Ce\n0.843981 0.687960 0.296148 Ce\n0.000000 0.000000 0.000000 Ce\n0.538826 0.077650 0.796095 As\n0.197267 0.394532 0.130855 As\n0.461175 0.922349 0.203905 As\n0.636758 0.273515 0.460116 As\n0.802735 0.605467 0.869145 As\n0.363243 0.726485 0.539884 As\n0.500000 -0.000000 0.500000 Pd\n0.038465 0.076931 0.333245 Pd\n0.319050 0.638099 0.030866 Pd\n0.680951 0.361900 0.969134 Pd\n0.782206 0.564410 0.606066 Pd\n0.373799 0.747598 0.793084 Pd\n0.961536 0.923069 0.666755 Pd\n0.217795 0.435590 0.393934 Pd\n0.626202 0.252401 0.206916 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"As",
"Pd"
],
"chemical_system": "As-Ce-Pd",
"density": 9.121296715160323,
"density_atomic": 0.054098491398239225,
"volume": 332.72646860880593,
"volume_molar": 11.131809047444172,
"formula_full": "Ce3 As6 Pd9",
"formula_reduced": "CeAs2Pd3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0570726833333333,
"spacegroup": 12
},
{
"id": "jvasp-69644",
"created_at": "2022-09-04T14:36:02.759175Z",
"updated_at": "2022-09-04T14:36:02.759206Z",
"structure_string": "Na1 Be2 Rh1\n1.0\n-1.801321 1.801321 3.873374\n1.801321 -1.801321 3.873374\n1.801321 1.801321 -3.873374\nNa Be Rh\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n0.749999 0.250000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Rh"
],
"chemical_system": "Be-Na-Rh",
"density": 4.753762633829744,
"density_atomic": 0.07956614974066231,
"volume": 50.272634946363354,
"volume_molar": 7.568722100577379,
"formula_full": "Na1 Be2 Rh1",
"formula_reduced": "NaBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.54326605,
"spacegroup": 119
},
{
"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
}
]
}