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=spacegroup&page=3472",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=3470",
"results": [
{
"id": "jvasp-74480",
"created_at": "2022-09-04T14:35:46.027565Z",
"updated_at": "2022-09-04T14:35:46.027583Z",
"structure_string": "K1 Be2 Cd1\n1.0\n-2.440490 2.440490 3.451822\n2.440490 -2.440490 3.451822\n2.440490 2.440490 -3.451822\nK Be Cd\n1 2 1\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-K",
"density": 3.4232813734614425,
"density_atomic": 0.04864044535531352,
"volume": 82.23608913899545,
"volume_molar": 12.380932608673445,
"formula_full": "K1 Be2 Cd1",
"formula_reduced": "KBe2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7429532875,
"spacegroup": 216
},
{
"id": "jvasp-75546",
"created_at": "2022-09-04T14:35:46.046235Z",
"updated_at": "2022-09-04T14:35:46.046257Z",
"structure_string": "Tc2 As1 Ir1\n1.0\n0.000000 3.112756 3.112756\n3.112756 0.000000 3.112756\n3.112756 3.112756 0.000000\nTc As Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tc",
"As",
"Ir"
],
"chemical_system": "As-Ir-Tc",
"density": 12.749549620975108,
"density_atomic": 0.06631240192085058,
"volume": 60.32054162016836,
"volume_molar": 9.081469808902307,
"formula_full": "Tc2 As1 Ir1",
"formula_reduced": "Tc2AsIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5526539625,
"spacegroup": 216
},
{
"id": "jvasp-74222",
"created_at": "2022-09-04T14:35:46.056577Z",
"updated_at": "2022-09-04T14:35:46.056604Z",
"structure_string": "Na2 Ta1 Be1\n1.0\n-2.351746 2.351746 3.325944\n2.351746 -2.351746 3.325944\n2.351746 2.351746 -3.325944\nNa Ta Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750001 0.500001 Na\n0.499999 0.499999 0.000000 Ta\n0.750001 0.250000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ta",
"Be"
],
"chemical_system": "Be-Na-Ta",
"density": 5.324688244698462,
"density_atomic": 0.05436310318007566,
"volume": 73.57931696338518,
"volume_molar": 11.077625094454033,
"formula_full": "Na2 Ta1 Be1",
"formula_reduced": "Na2TaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.072500825,
"spacegroup": 216
},
{
"id": "jvasp-75658",
"created_at": "2022-09-04T14:35:46.073751Z",
"updated_at": "2022-09-04T14:35:46.073787Z",
"structure_string": "Mn1 As1 Au1\n1.0\n-0.000000 3.110139 3.110139\n3.110139 -0.000000 3.110139\n3.110139 3.110139 0.000000\nMn As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"As",
"Au"
],
"chemical_system": "As-Au-Mn",
"density": 9.01979334264086,
"density_atomic": 0.049859952623872585,
"volume": 60.168528891935246,
"volume_molar": 12.078111676978697,
"formula_full": "Mn1 As1 Au1",
"formula_reduced": "MnAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1329021871264366,
"spacegroup": 216
},
{
"id": "jvasp-37035",
"created_at": "2022-09-04T14:35:46.096094Z",
"updated_at": "2022-09-04T14:35:46.096120Z",
"structure_string": "Ti1 Fe1 Co1 As1\n1.0\n2.920865 2.920865 -0.000000\n2.920865 0.000000 -2.920865\n-0.000000 2.920865 -2.920865\nTi Fe Co As\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"As"
],
"chemical_system": "As-Co-Fe-Ti",
"density": 7.915354796623031,
"density_atomic": 0.08025933214627556,
"volume": 49.838441126196436,
"volume_molar": 7.503352693023197,
"formula_full": "Ti1 Fe1 Co1 As1",
"formula_reduced": "TiFeCoAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.124939120833333,
"spacegroup": 216
},
{
"id": "jvasp-64946",
"created_at": "2022-09-04T14:35:46.122847Z",
"updated_at": "2022-09-04T14:35:46.122873Z",
"structure_string": "Be1 Ni4 Ru1\n1.0\n-0.000000 3.268452 3.268452\n3.268452 -0.000000 3.268452\n3.268452 3.268452 -0.000000\nBe Ni Ru\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123855 0.625382 0.625382 Ni\n0.625382 0.625382 0.123855 Ni\n0.625382 0.625382 0.625382 Ni\n0.625382 0.123855 0.625382 Ni\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Ru"
],
"chemical_system": "Be-Ni-Ru",
"density": 8.200310172530717,
"density_atomic": 0.08592012904404031,
"volume": 69.83229735286552,
"volume_molar": 7.008998737552194,
"formula_full": "Be1 Ni4 Ru1",
"formula_reduced": "BeNi4Ru",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9747577000000005,
"spacegroup": 216
},
{
"id": "jvasp-66098",
"created_at": "2022-09-04T14:35:46.089476Z",
"updated_at": "2022-09-04T14:35:46.089504Z",
"structure_string": "Ba4 Cu1 Ru1\n1.0\n-0.000000 4.760529 4.760529\n4.760529 -0.000000 4.760529\n4.760529 4.760529 -0.000000\nBa Cu Ru\n4 1 1\ndirect\n0.123431 0.625523 0.625523 Ba\n0.625523 0.625523 0.625523 Ba\n0.625523 0.123431 0.625523 Ba\n0.625523 0.625523 0.123431 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Ru"
],
"chemical_system": "Ba-Cu-Ru",
"density": 5.494212318993855,
"density_atomic": 0.02780709428040616,
"volume": 215.77227521495502,
"volume_molar": 21.656850224165307,
"formula_full": "Ba4 Cu1 Ru1",
"formula_reduced": "Ba4CuRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7581641383333333,
"spacegroup": 216
},
{
"id": "jvasp-75872",
"created_at": "2022-09-04T14:35:46.097037Z",
"updated_at": "2022-09-04T14:35:46.097065Z",
"structure_string": "As1 Pd2 Pt1\n1.0\n-0.000000 3.164564 3.164564\n3.164564 -0.000000 3.164564\n3.164564 3.164564 -0.000000\nAs Pd Pt\n1 2 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"Pd",
"Pt"
],
"chemical_system": "As-Pd-Pt",
"density": 12.649860325374684,
"density_atomic": 0.06310857093867826,
"volume": 63.38283279915728,
"volume_molar": 9.542508522101748,
"formula_full": "As1 Pd2 Pt1",
"formula_reduced": "AsPd2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0374861375,
"spacegroup": 216
},
{
"id": "jvasp-69206",
"created_at": "2022-09-04T14:35:46.244847Z",
"updated_at": "2022-09-04T14:35:46.244878Z",
"structure_string": "Ba1 Sc4 Mn1\n1.0\n0.000000 4.253090 4.253090\n4.253090 0.000000 4.253090\n4.253090 4.253090 0.000000\nBa Sc Mn\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.114206 0.628598 0.628598 Sc\n0.628598 0.628598 0.628598 Sc\n0.628598 0.114206 0.628598 Sc\n0.628598 0.628598 0.114206 Sc\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Mn"
],
"chemical_system": "Ba-Mn-Sc",
"density": 4.015613039995162,
"density_atomic": 0.03899487529909869,
"volume": 153.86637228555728,
"volume_molar": 15.443415868903148,
"formula_full": "Ba1 Sc4 Mn1",
"formula_reduced": "BaSc4Mn",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.808264035229884,
"spacegroup": 216
},
{
"id": "jvasp-69244",
"created_at": "2022-09-04T14:35:46.205196Z",
"updated_at": "2022-09-04T14:35:46.205233Z",
"structure_string": "Ba1 Sc4 Fe1\n1.0\n0.000000 4.302200 4.302200\n4.302200 -0.000000 4.302200\n4.302200 4.302200 -0.000000\nBa Sc Fe\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.116742 0.627753 0.627753 Sc\n0.627753 0.627753 0.627753 Sc\n0.627753 0.116742 0.627753 Sc\n0.627753 0.627753 0.116742 Sc\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Fe"
],
"chemical_system": "Ba-Fe-Sc",
"density": 3.8891176266879186,
"density_atomic": 0.03767467086619549,
"volume": 159.25819289329598,
"volume_molar": 15.984587579777669,
"formula_full": "Ba1 Sc4 Fe1",
"formula_reduced": "BaSc4Fe",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.631357078333333,
"spacegroup": 216
},
{
"id": "jvasp-66248",
"created_at": "2022-09-04T14:35:46.244260Z",
"updated_at": "2022-09-04T14:35:46.244278Z",
"structure_string": "Ba4 Ni1 P1\n1.0\n-0.000000 4.792760 4.792760\n4.792760 -0.000000 4.792760\n4.792760 4.792760 0.000000\nBa Ni P\n4 1 1\ndirect\n0.123542 0.625485 0.625485 Ba\n0.625485 0.625485 0.625485 Ba\n0.625485 0.123542 0.625485 Ba\n0.625485 0.625485 0.123542 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"P"
],
"chemical_system": "Ba-Ni-P",
"density": 4.81887912249258,
"density_atomic": 0.02724985581624622,
"volume": 220.1846512678732,
"volume_molar": 22.099716052110747,
"formula_full": "Ba4 Ni1 P1",
"formula_reduced": "Ba4NiP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6685619633333333,
"spacegroup": 216
},
{
"id": "jvasp-66413",
"created_at": "2022-09-04T14:35:46.261530Z",
"updated_at": "2022-09-04T14:35:46.261561Z",
"structure_string": "Ba1 Mg1 Sn1\n1.0\n0.000000 3.936334 3.936334\n3.936334 0.000000 3.936334\n3.936334 3.936334 -0.000000\nBa Mg Sn\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sn"
],
"chemical_system": "Ba-Mg-Sn",
"density": 3.8162027910068925,
"density_atomic": 0.024593222261477442,
"volume": 121.98482850696502,
"volume_molar": 24.486993595113464,
"formula_full": "Ba1 Mg1 Sn1",
"formula_reduced": "BaMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0710333333333333,
"spacegroup": 216
}
]
}