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=-density&page=3633",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3631",
"results": [
{
"id": "jvasp-107596",
"created_at": "2022-09-04T14:36:58.425880Z",
"updated_at": "2022-09-04T14:36:58.425890Z",
"structure_string": "V2 O2 F4\n1.0\n3.065654 0.000000 0.018336\n-0.000002 3.598334 -0.000004\n-0.053225 0.000000 8.485202\nV O F\n2 2 4\ndirect\n0.499999 0.499999 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.499999 0.000000 O\n0.499999 -0.000000 0.500000 O\n0.500120 0.000001 0.146153 F\n0.000117 0.500000 0.646154 F\n-0.000118 0.499998 0.353846 F\n0.499878 0.999998 0.853848 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.723124610592465,
"density_atomic": 0.08546472473599363,
"volume": 93.6058710153522,
"volume_molar": 7.046346640210689,
"formula_full": "V2 O2 F4",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9360020662500002,
"spacegroup": 71
},
{
"id": "jvasp-114002",
"created_at": "2022-09-04T14:38:49.585725Z",
"updated_at": "2022-09-04T14:38:49.585752Z",
"structure_string": "Y1 B1 O1\n1.0\n4.174921 0.000000 0.000000\n-2.087461 3.615588 -0.000000\n0.000000 -0.000000 3.419094\nY B O\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Y\n0.000000 0.000000 0.000000 B\n0.333334 0.666668 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"B",
"O"
],
"chemical_system": "B-O-Y",
"density": 3.723104356412183,
"density_atomic": 0.05812768346597375,
"volume": 51.61052051482685,
"volume_molar": 10.360193974571834,
"formula_full": "Y1 B1 O1",
"formula_reduced": "YBO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.959830511111111,
"spacegroup": 187
},
{
"id": "jvasp-87110",
"created_at": "2022-09-04T14:36:05.303875Z",
"updated_at": "2022-09-04T14:36:05.303887Z",
"structure_string": "Rb6 C2 O6 F2\n1.0\n6.535194 -0.078208 3.081263\n1.921888 6.246698 3.081263\n-0.107224 -0.078208 7.224365\nRb C O F\n6 2 6 2\ndirect\n0.250000 0.820612 0.679388 Rb\n0.820612 0.679388 0.250000 Rb\n0.679388 0.250000 0.820612 Rb\n0.750000 0.179388 0.320612 Rb\n0.179388 0.320612 0.750000 Rb\n0.320612 0.750000 0.179388 Rb\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.250000 0.417026 0.082973 O\n0.417026 0.082973 0.250000 O\n0.082974 0.250000 0.417026 O\n0.750000 0.582973 0.917027 O\n0.917026 0.750000 0.582974 O\n0.582974 0.917026 0.750000 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Rb",
"density": 3.7228841813228217,
"density_atomic": 0.05347410173129188,
"volume": 299.2102622013218,
"volume_molar": 11.261789473830422,
"formula_full": "Rb6 C2 O6 F2",
"formula_reduced": "Rb3CO3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.2360775978125,
"spacegroup": 167
},
{
"id": "jvasp-66944",
"created_at": "2022-09-04T14:35:49.816624Z",
"updated_at": "2022-09-04T14:35:49.816644Z",
"structure_string": "Mg1 Be2 Cu1\n1.0\n2.798049 0.000000 -0.000000\n0.000000 2.798049 0.000000\n0.000000 0.000000 6.032033\nMg Be Cu\n1 2 1\ndirect\n0.500000 0.500000 0.757495 Mg\n0.000000 0.000000 0.059771 Be\n0.500000 0.500000 0.237403 Be\n0.000000 0.000000 0.445329 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Mg",
"density": 3.7227997301362055,
"density_atomic": 0.08470043703053659,
"volume": 47.22525810059164,
"volume_molar": 7.109928792727327,
"formula_full": "Mg1 Be2 Cu1",
"formula_reduced": "MgBe2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6631818656249999,
"spacegroup": 99
},
{
"id": "jvasp-106879",
"created_at": "2022-09-04T14:37:52.712863Z",
"updated_at": "2022-09-04T14:37:52.712885Z",
"structure_string": "Co1 P2 O7\n1.0\n4.930251 0.038277 0.670352\n-1.007740 4.826313 0.670352\n0.061205 0.075905 4.379750\nCo P O\n1 2 7\ndirect\n0.053662 0.946339 0.499999 Co\n0.204027 0.386264 0.908308 P\n0.613737 0.795974 0.091691 P\n0.497279 0.502721 -0.000000 O\n0.002446 0.242963 0.218348 O\n0.757038 0.997555 0.781651 O\n0.080357 0.624240 0.773656 O\n0.804641 0.713971 0.320933 O\n0.375761 0.919643 0.226343 O\n0.286030 0.195360 0.679066 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.72234717625008,
"density_atomic": 0.09625916239633062,
"volume": 103.88621458003875,
"volume_molar": 6.256174072245576,
"formula_full": "Co1 P2 O7",
"formula_reduced": "CoP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.95413864,
"spacegroup": 5
},
{
"id": "jvasp-110343",
"created_at": "2022-09-04T14:38:39.818038Z",
"updated_at": "2022-09-04T14:38:39.818061Z",
"structure_string": "K3 Tl1 I6\n1.0\n7.627927 -0.000000 4.403986\n2.542642 7.191679 4.403986\n-0.000000 -0.000000 8.807971\nK Tl I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n0.760631 0.239370 0.239370 I\n0.239370 0.239370 0.760630 I\n0.239369 0.760631 0.760631 I\n0.239369 0.760631 0.239370 I\n0.760631 0.239370 0.760631 I\n0.760630 0.760631 0.239370 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tl",
"I"
],
"chemical_system": "I-K-Tl",
"density": 3.7222622469717033,
"density_atomic": 0.020696042203408833,
"volume": 483.18417123989565,
"volume_molar": 29.098030922105952,
"formula_full": "K3 Tl1 I6",
"formula_reduced": "K3TlI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36484",
"created_at": "2022-09-04T14:37:34.106865Z",
"updated_at": "2022-09-04T14:37:34.106882Z",
"structure_string": "Sr3 Sb2\n1.0\n6.090324 -0.000000 -0.000000\n0.000000 6.090324 -0.000000\n0.000000 -0.000000 6.090324\nSr Sb\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sr",
"Sb"
],
"chemical_system": "Sb-Sr",
"density": 3.722240668935307,
"density_atomic": 0.022133434632757434,
"volume": 225.90258055114552,
"volume_molar": 27.208342762524733,
"formula_full": "Sr3 Sb2",
"formula_reduced": "Sr3Sb2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3502606100000001,
"spacegroup": 221
},
{
"id": "jvasp-30542",
"created_at": "2022-09-04T14:37:29.149251Z",
"updated_at": "2022-09-04T14:37:29.149275Z",
"structure_string": "Fe2 O4\n1.0\n2.865107 0.000000 -0.000000\n-1.432554 2.481257 0.000000\n0.000000 -0.000000 11.025037\nFe O\n2 4\ndirect\n0.666668 0.333333 0.750000 Fe\n0.333335 0.666668 0.250000 Fe\n0.333335 0.666668 0.394467 O\n0.666668 0.333333 0.894467 O\n0.333335 0.666668 0.105533 O\n0.666668 0.333333 0.605533 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 3.722181591497818,
"density_atomic": 0.07655236278266764,
"volume": 78.37772449994804,
"volume_molar": 7.866694823119797,
"formula_full": "Fe2 O4",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4018908333333338,
"spacegroup": 194
},
{
"id": "jvasp-10188",
"created_at": "2022-09-04T14:37:10.598851Z",
"updated_at": "2022-09-04T14:37:10.598877Z",
"structure_string": "Cd2 P8\n1.0\n0.000000 5.316646 0.023512\n5.207470 0.000000 0.000000\n0.000000 -1.252357 -7.621710\nCd P\n2 8\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.397517 0.604225 0.099087 P\n0.602483 0.104225 0.400913 P\n0.260320 0.290017 0.251873 P\n0.739680 0.790017 0.248127 P\n0.739680 0.709983 0.748127 P\n0.260320 0.209983 0.751873 P\n0.397517 0.895775 0.599087 P\n0.602483 0.395775 0.900913 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cd",
"P"
],
"chemical_system": "Cd-P",
"density": 3.721797032646912,
"density_atomic": 0.04742406258365325,
"volume": 210.86341943734976,
"volume_molar": 12.698491929866401,
"formula_full": "Cd2 P8",
"formula_reduced": "CdP4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.2815967000000006,
"spacegroup": 14
},
{
"id": "jvasp-78747",
"created_at": "2022-09-04T14:37:01.560276Z",
"updated_at": "2022-09-04T14:37:01.560302Z",
"structure_string": "Sr1 Ca1 Sn1\n1.0\n4.656906 -0.000000 2.688666\n1.552302 4.390572 2.688666\n-0.000000 -0.000000 5.377330\nSr Ca Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn-Sr",
"density": 3.7215052551442294,
"density_atomic": 0.0272857559332122,
"volume": 109.94747616093723,
"volume_molar": 22.070639254930278,
"formula_full": "Sr1 Ca1 Sn1",
"formula_reduced": "SrCaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-16912",
"created_at": "2022-09-04T14:36:53.931752Z",
"updated_at": "2022-09-04T14:36:53.931776Z",
"structure_string": "Fe2 O4\n1.0\n1.432810 -2.481701 -0.000000\n1.432810 2.481701 -0.000000\n0.000000 -0.000000 11.023134\nFe O\n2 4\ndirect\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.750000 Fe\n0.333333 0.666667 0.605507 O\n0.666667 0.333333 0.105507 O\n0.333333 0.666667 0.894493 O\n0.666667 0.333333 0.394493 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 3.721491792240069,
"density_atomic": 0.07653817600490616,
"volume": 78.39225224828189,
"volume_molar": 7.868152958876334,
"formula_full": "Fe2 O4",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4018008333333336,
"spacegroup": 194
},
{
"id": "jvasp-42723",
"created_at": "2022-09-04T14:38:12.172762Z",
"updated_at": "2022-09-04T14:38:12.172778Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n4.924124 -0.001429 -0.000317\n0.002010 6.089062 -0.000039\n0.000740 0.000180 9.391747\nLi Fe P O\n4 4 4 16\ndirect\n0.477433 0.249982 0.167508 Li\n0.977433 0.749966 0.332492 Li\n0.022566 0.250033 0.667508 Li\n0.522566 0.750018 0.832492 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.529719 0.250015 0.822068 P\n0.029720 0.750024 0.677933 P\n0.970279 0.249976 0.322067 P\n0.470280 0.749984 0.177932 P\n0.219618 0.250025 0.855460 O\n0.098500 0.750007 0.841998 O\n0.598499 0.250005 0.658001 O\n0.719619 0.750025 0.644539 O\n0.160946 0.541296 0.615132 O\n0.160944 0.958754 0.615143 O\n0.839056 0.041245 0.384857 O\n0.339056 0.541259 0.115141 O\n0.280380 0.249975 0.355461 O\n0.401501 0.749994 0.341999 O\n0.901500 0.249992 0.158001 O\n0.780382 0.749975 0.144540 O\n0.660943 0.458741 0.884858 O\n0.339055 0.958715 0.115133 O\n0.839053 0.458703 0.384868 O\n0.660944 0.041285 0.884866 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.721113514135806,
"density_atomic": 0.09943338531272929,
"volume": 281.59556181192886,
"volume_molar": 6.056457537938273,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4359221428571427,
"spacegroup": 62
}
]
}