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=created_at&page=931",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=929",
"results": [
{
"id": "jvasp-67813",
"created_at": "2022-09-04T14:36:11.554511Z",
"updated_at": "2022-09-04T14:36:11.554526Z",
"structure_string": "Mg2 Be1 Hg1\n1.0\n3.541777 -0.000000 0.000000\n0.000000 3.541777 0.000000\n-0.000000 -0.000000 5.823986\nMg Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.987355 Mg\n0.500000 0.500000 0.276942 Mg\n0.000000 0.000000 0.492391 Be\n0.500000 0.500000 0.743313 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mg",
"density": 5.868986034904386,
"density_atomic": 0.05475165386717899,
"volume": 73.05715384787325,
"volume_molar": 10.999011599921708,
"formula_full": "Mg2 Be1 Hg1",
"formula_reduced": "Mg2BeHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-62464",
"created_at": "2022-09-04T14:36:11.555632Z",
"updated_at": "2022-09-04T14:36:11.555649Z",
"structure_string": "Ca1 As2 O6\n1.0\n2.458162 -4.257662 0.000000\n2.458162 4.257662 -0.000000\n-0.000000 -0.000000 5.085733\nCa As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666666 0.500000 As\n0.666666 0.333333 0.500000 As\n0.376535 -0.000000 0.293999 O\n-0.000000 0.376535 0.293999 O\n0.623464 0.623464 0.293999 O\n-0.000000 0.623464 0.706001 O\n0.623464 -0.000000 0.706001 O\n0.376535 0.376535 0.706001 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 4.459896222719051,
"density_atomic": 0.08454292619180921,
"volume": 106.45479646139749,
"volume_molar": 7.123175209640952,
"formula_full": "Ca1 As2 O6",
"formula_reduced": "Ca(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2446761022222224,
"spacegroup": 162
},
{
"id": "jvasp-70971",
"created_at": "2022-09-04T14:36:11.558755Z",
"updated_at": "2022-09-04T14:36:11.558780Z",
"structure_string": "Ti1 Be1 Pd4\n1.0\n0.000000 3.627319 3.627319\n3.627319 0.000000 3.627319\n3.627319 3.627319 0.000000\nTi Be Pd\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n0.124367 0.625211 0.625211 Pd\n0.625211 0.625211 0.625211 Pd\n0.625211 0.124367 0.625211 Pd\n0.625211 0.625211 0.124367 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Pd"
],
"chemical_system": "Be-Pd-Ti",
"density": 8.394840194347818,
"density_atomic": 0.06285849845319783,
"volume": 95.4524868974938,
"volume_molar": 9.58047186647939,
"formula_full": "Ti1 Be1 Pd4",
"formula_reduced": "TiBePd4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.283939538888889,
"spacegroup": 216
},
{
"id": "jvasp-17352",
"created_at": "2022-09-04T14:36:11.561608Z",
"updated_at": "2022-09-04T14:36:11.561645Z",
"structure_string": "Mn1 Al1 O3\n1.0\n3.723350 -0.000000 -0.000000\n-0.000000 3.723350 -0.000000\n0.000000 0.000000 3.723350\nMn Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Mn-O",
"density": 4.179420928425527,
"density_atomic": 0.09686534220926432,
"volume": 51.618049200695374,
"volume_molar": 6.21702316086386,
"formula_full": "Mn1 Al1 O3",
"formula_reduced": "MnAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.523820108275862,
"spacegroup": 221
},
{
"id": "jvasp-66157",
"created_at": "2022-09-04T14:36:11.563877Z",
"updated_at": "2022-09-04T14:36:11.563904Z",
"structure_string": "Ba4 Hf1 Ta1\n1.0\n0.000000 4.769861 4.769861\n4.769861 -0.000000 4.769861\n4.769861 4.769861 0.000000\nBa Hf Ta\n4 1 1\ndirect\n0.124286 0.625238 0.625238 Ba\n0.625238 0.625238 0.625238 Ba\n0.625238 0.124286 0.625238 Ba\n0.625238 0.625238 0.124286 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ta"
],
"chemical_system": "Ba-Hf-Ta",
"density": 6.952554257354185,
"density_atomic": 0.027644203719829764,
"volume": 217.0436906343616,
"volume_molar": 21.784460934500324,
"formula_full": "Ba4 Hf1 Ta1",
"formula_reduced": "Ba4HfTa",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.31753768,
"spacegroup": 216
},
{
"id": "jvasp-68981",
"created_at": "2022-09-04T14:36:11.564316Z",
"updated_at": "2022-09-04T14:36:11.564329Z",
"structure_string": "Ba1 Re1 Se4\n1.0\n0.000000 4.252977 4.252977\n4.252977 0.000000 4.252977\n4.252977 4.252977 -0.000000\nBa Re Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Re\n0.121721 0.626094 0.626094 Se\n0.626094 0.626094 0.626094 Se\n0.626094 0.121721 0.626094 Se\n0.626094 0.626094 0.121721 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Se"
],
"chemical_system": "Ba-Re-Se",
"density": 6.900728983163892,
"density_atomic": 0.03899798361921431,
"volume": 153.85410842225696,
"volume_molar": 15.442184957052216,
"formula_full": "Ba1 Re1 Se4",
"formula_reduced": "BaReSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3641762394444443,
"spacegroup": 216
},
{
"id": "jvasp-3579",
"created_at": "2022-09-04T14:36:11.565421Z",
"updated_at": "2022-09-04T14:36:11.565450Z",
"structure_string": "Pb2 Br2 F2\n1.0\n4.200447 0.000000 0.000000\n0.000000 4.200447 0.000000\n0.000000 0.000000 7.614561\nPb Br F\n2 2 2\ndirect\n0.000000 0.500000 0.806212 Pb\n0.500000 0.000000 0.193788 Pb\n0.500000 0.000000 0.648133 Br\n0.000000 0.500000 0.351867 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"Br",
"F"
],
"chemical_system": "Br-F-Pb",
"density": 7.566759726295974,
"density_atomic": 0.044659654783723815,
"volume": 134.3494487151006,
"volume_molar": 13.484521519845616,
"formula_full": "Pb2 Br2 F2",
"formula_reduced": "PbBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0000000000085517e-05,
"spacegroup": 129
},
{
"id": "jvasp-71013",
"created_at": "2022-09-04T14:36:11.567735Z",
"updated_at": "2022-09-04T14:36:11.567757Z",
"structure_string": "Mg2 Be1 Fe1\n1.0\n2.926825 0.000000 0.000000\n0.000000 2.926825 0.000000\n0.000000 0.000000 6.922489\nMg Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.941677 Mg\n0.499999 0.499999 0.300246 Mg\n0.000000 0.000000 0.573602 Be\n0.499999 0.499999 0.684474 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Mg",
"density": 3.1773391961821393,
"density_atomic": 0.06745345588396312,
"volume": 59.30014923002617,
"volume_molar": 8.927846143805581,
"formula_full": "Mg2 Be1 Fe1",
"formula_reduced": "Mg2BeFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9180499249999998,
"spacegroup": 99
},
{
"id": "jvasp-98011",
"created_at": "2022-09-04T14:36:11.572612Z",
"updated_at": "2022-09-04T14:36:11.572640Z",
"structure_string": "K2 Ce2 Ge2 Se8\n1.0\n6.570765 0.000000 -2.134624\n0.000000 7.066268 0.000000\n-0.033853 0.000000 8.929054\nK Ce Ge Se\n2 2 2 8\ndirect\n0.248512 0.718208 0.938551 K\n0.751489 0.218208 0.061450 K\n0.732195 0.213034 0.555228 Ce\n0.267806 0.713035 0.444772 Ce\n0.716829 0.746383 0.315710 Ge\n0.283172 0.246383 0.684290 Ge\n0.917849 0.750958 0.144522 Se\n0.082152 0.250957 0.855478 Se\n0.492755 0.968883 0.719784 Se\n0.927575 0.805867 0.581424 Se\n0.072426 0.305867 0.418576 Se\n0.463459 0.991959 0.265963 Se\n0.536542 0.491959 0.734037 Se\n0.507246 0.468883 0.280216 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Ce",
"Ge",
"Se"
],
"chemical_system": "Ce-Ge-K-Se",
"density": 4.55320682401795,
"density_atomic": 0.03381051507681705,
"volume": 414.07236678270596,
"volume_molar": 17.811443411370025,
"formula_full": "K2 Ce2 Ge2 Se8",
"formula_reduced": "KCeGeSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.0748047023809524,
"spacegroup": 4
},
{
"id": "jvasp-93530",
"created_at": "2022-09-04T14:36:11.573425Z",
"updated_at": "2022-09-04T14:36:11.573451Z",
"structure_string": "Ca2 Mg4\n1.0\n3.556336 -0.000000 -0.000000\n-1.778168 3.079877 0.000000\n0.000000 -0.000000 16.037357\nCa Mg\n2 4\ndirect\n0.666668 0.333333 0.250000 Ca\n0.333333 0.666668 0.750000 Ca\n0.333333 0.666668 0.077028 Mg\n0.333333 0.666668 0.422972 Mg\n0.666668 0.333333 0.577028 Mg\n0.666668 0.333333 0.922972 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6767758053931685,
"density_atomic": 0.034157202529754654,
"volume": 175.65841332507674,
"volume_molar": 17.630661512031192,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1884708333333332,
"spacegroup": 194
},
{
"id": "jvasp-90675",
"created_at": "2022-09-04T14:36:11.577141Z",
"updated_at": "2022-09-04T14:36:11.577163Z",
"structure_string": "U4 Co4\n1.0\n-3.158205 -3.158205 3.158205\n-3.158205 3.158205 -3.158205\n3.158205 -3.158205 -3.158205\nU Co\n4 4\ndirect\n0.569430 -0.000000 0.500001 U\n0.500001 0.569430 0.000000 U\n0.000000 0.500001 0.569430 U\n0.930572 0.930572 0.930572 U\n0.093433 -0.000000 0.500001 Co\n0.500001 0.093433 -0.000000 Co\n0.000000 0.500001 0.093433 Co\n0.406568 0.406568 0.406568 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Co"
],
"chemical_system": "Co-U",
"density": 15.654138797844862,
"density_atomic": 0.06349054358284344,
"volume": 126.00301633205389,
"volume_molar": 9.485098756702595,
"formula_full": "U4 Co4",
"formula_reduced": "UCo",
"formula_anonymous": "AB",
"energy_above_hull": 2.9196984500000003,
"spacegroup": 199
},
{
"id": "jvasp-4618",
"created_at": "2022-09-04T14:36:11.578859Z",
"updated_at": "2022-09-04T14:36:11.578890Z",
"structure_string": "Yb3 As3 Pd3\n1.0\n3.458820 -5.990852 0.000000\n3.458820 5.990852 0.000000\n0.000000 0.000000 4.176300\nYb As Pd\n3 3 3\ndirect\n0.000000 0.579407 0.500000 Yb\n0.420593 0.420593 0.500000 Yb\n0.579407 0.000000 0.500000 Yb\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n0.000000 0.000000 0.500000 As\n0.242010 0.000000 0.000000 Pd\n0.757990 0.757990 0.000000 Pd\n0.000000 0.242010 0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"As",
"Pd"
],
"chemical_system": "As-Pd-Yb",
"density": 10.200073016333254,
"density_atomic": 0.05200011131040458,
"volume": 173.07655259190207,
"volume_molar": 11.58101513293308,
"formula_full": "Yb3 As3 Pd3",
"formula_reduced": "YbAsPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5930593833333334,
"spacegroup": 189
}
]
}