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=id&page=1166",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1164",
"results": [
{
"id": "jvasp-12016",
"created_at": "2022-09-04T14:36:04.621390Z",
"updated_at": "2022-09-04T14:36:04.621415Z",
"structure_string": "Pd2 Se2 O6\n1.0\n4.716685 0.111629 -1.686936\n-0.639674 4.674390 -1.686782\n-0.145417 -0.170441 6.968985\nPd Se O\n2 2 6\ndirect\n0.499999 -0.000000 -0.000001 Pd\n0.000000 0.500000 -0.000000 Pd\n0.323082 0.323095 0.633447 Se\n0.676918 0.676905 0.366551 Se\n0.964713 0.571444 0.293294 O\n0.571435 0.964705 0.293290 O\n0.393813 0.393803 0.139917 O\n0.035285 0.428557 0.706705 O\n0.606187 0.606198 0.860082 O\n0.428563 0.035295 0.706710 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 5.116362125650812,
"density_atomic": 0.06601184881546301,
"volume": 151.4879552602008,
"volume_molar": 9.122817900215118,
"formula_full": "Pd2 Se2 O6",
"formula_reduced": "PdSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.056995913333333,
"spacegroup": 12
},
{
"id": "jvasp-120160",
"created_at": "2022-09-04T14:38:53.093209Z",
"updated_at": "2022-09-04T14:38:53.093230Z",
"structure_string": "Y1 Mn1 F2\n1.0\n4.121353 -0.000000 -0.000000\n0.000000 4.121353 0.000000\n-0.000000 0.000000 4.185838\nY Mn F\n1 1 2\ndirect\n0.500000 0.500000 0.695974 Y\n0.000000 0.000000 0.811716 Mn\n0.000000 0.000000 0.306454 F\n0.500000 0.500000 0.195858 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mn",
"F"
],
"chemical_system": "F-Mn-Y",
"density": 4.246959807211058,
"density_atomic": 0.056259769288210415,
"volume": 71.09876294566008,
"volume_molar": 10.704168958015932,
"formula_full": "Y1 Mn1 F2",
"formula_reduced": "YMnF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2432883140948277,
"spacegroup": 99
},
{
"id": "jvasp-120162",
"created_at": "2022-09-04T14:38:44.750204Z",
"updated_at": "2022-09-04T14:38:44.750231Z",
"structure_string": "Sb2 O2 F2\n1.0\n3.901230 0.000000 0.000000\n0.000000 3.901230 -0.000000\n0.000000 0.000000 5.675357\nSb O F\n2 2 2\ndirect\n0.500000 0.000000 0.285784 Sb\n0.000000 0.500000 0.714217 Sb\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 6.027149526588664,
"density_atomic": 0.06946322690600361,
"volume": 86.37663793130561,
"volume_molar": 8.669537866631295,
"formula_full": "Sb2 O2 F2",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5501366275000001,
"spacegroup": 129
},
{
"id": "jvasp-120163",
"created_at": "2022-09-04T14:38:44.764945Z",
"updated_at": "2022-09-04T14:38:44.764962Z",
"structure_string": "Sb1 O1 F1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSb O F\n1 1 1\ndirect\n0.000000 0.000000 0.736755 Sb\n0.000000 0.000000 0.016584 O\n0.000000 0.000000 0.200164 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 1.715437162997308,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Sb1 O1 F1",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4463499608333334,
"spacegroup": 99
},
{
"id": "jvasp-120164",
"created_at": "2022-09-04T14:38:52.209710Z",
"updated_at": "2022-09-04T14:38:52.209738Z",
"structure_string": "Sc1 O1 F1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nSc O F\n1 1 1\ndirect\n-0.003980 0.319857 0.000000 Sc\n0.259322 -0.005323 0.000000 O\n-0.083470 -0.088517 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 0.664475338762761,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Sc1 O1 F1",
"formula_reduced": "ScOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6108496775,
"spacegroup": 6
},
{
"id": "jvasp-120165",
"created_at": "2022-09-04T14:38:53.107342Z",
"updated_at": "2022-09-04T14:38:53.107368Z",
"structure_string": "Sc1 O1 F1\n1.0\n3.771655 -0.000000 -0.000000\n-1.885828 3.266349 0.000000\n-0.000000 -0.000000 4.262725\nSc O F\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sc\n0.333334 0.666667 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 2.5281677328811294,
"density_atomic": 0.05712673358383853,
"volume": 52.514817700844645,
"volume_molar": 10.541720806007534,
"formula_full": "Sc1 O1 F1",
"formula_reduced": "ScOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5615863441666666,
"spacegroup": 187
},
{
"id": "jvasp-120166",
"created_at": "2022-09-04T14:38:44.807140Z",
"updated_at": "2022-09-04T14:38:44.807170Z",
"structure_string": "Sc1 O1 F1\n1.0\n5.945106 -0.000000 0.000000\n0.000000 5.945106 -0.000000\n0.000000 0.000000 8.513698\nSc O F\n1 1 1\ndirect\n0.000000 0.000000 -0.001841 Sc\n0.000000 0.000000 0.796462 O\n0.000000 0.000000 0.230873 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 0.441215032575397,
"density_atomic": 0.009969739464396705,
"volume": 300.91057150624727,
"volume_molar": 60.40419392608888,
"formula_full": "Sc1 O1 F1",
"formula_reduced": "ScOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8884963441666667,
"spacegroup": 99
},
{
"id": "jvasp-120169",
"created_at": "2022-09-04T14:38:53.151180Z",
"updated_at": "2022-09-04T14:38:53.151206Z",
"structure_string": "Sc2 O2 F2\n1.0\n3.606869 0.000000 -0.000000\n0.000000 3.606869 0.000000\n0.000000 0.000000 5.135214\nSc O F\n2 2 2\ndirect\n0.000000 0.499999 0.707878 Sc\n0.499999 0.000000 0.292120 Sc\n0.499999 0.499999 0.499999 O\n0.000000 0.000000 0.499999 O\n0.000000 0.000000 0.000000 F\n0.499999 0.499999 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 3.974646022090068,
"density_atomic": 0.08981150318505345,
"volume": 66.80658698738414,
"volume_molar": 6.705311175553526,
"formula_full": "Sc2 O2 F2",
"formula_reduced": "ScOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1328596774999999,
"spacegroup": 129
},
{
"id": "jvasp-12017",
"created_at": "2022-09-04T14:36:33.557384Z",
"updated_at": "2022-09-04T14:36:33.557402Z",
"structure_string": "Nb2 Br4 O2\n1.0\n3.779407 0.000035 -1.067599\n-0.506777 6.824434 -1.793937\n0.009117 -0.028379 7.254380\nNb Br O\n2 4 2\ndirect\n0.012465 0.714940 0.999222 Nb\n0.013243 0.285055 0.000773 Nb\n0.916846 0.930999 0.733674 Br\n0.888421 0.415333 0.686459 Br\n0.201903 0.584669 0.313540 Br\n0.183123 0.068999 0.266326 Br\n0.537191 0.721235 0.997581 O\n0.539609 0.278766 0.002422 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Br",
"O"
],
"chemical_system": "Br-Nb-O",
"density": 4.773163593164642,
"density_atomic": 0.042788520988359266,
"volume": 186.96603236593342,
"volume_molar": 14.074197053079587,
"formula_full": "Nb2 Br4 O2",
"formula_reduced": "NbBr2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5267277775,
"spacegroup": 5
},
{
"id": "jvasp-120170",
"created_at": "2022-09-04T14:38:51.087941Z",
"updated_at": "2022-09-04T14:38:51.087961Z",
"structure_string": "Sc1 O1 F1\n1.0\n0.000000 2.534096 2.534096\n2.534096 0.000000 2.534096\n2.534096 2.534096 0.000000\nSc O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750003 0.750003 0.750003 O\n0.250001 0.250001 0.250001 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 4.0793273817274525,
"density_atomic": 0.09217689376631201,
"volume": 32.546117333977826,
"volume_molar": 6.53324332588968,
"formula_full": "Sc1 O1 F1",
"formula_reduced": "ScOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1510263441666666,
"spacegroup": 216
},
{
"id": "jvasp-120171",
"created_at": "2022-09-04T14:38:44.903308Z",
"updated_at": "2022-09-04T14:38:44.903325Z",
"structure_string": "Sc1 O1 F4\n1.0\n-2.524125 2.524124 2.382037\n2.524125 -2.524124 2.382037\n2.524124 2.524125 -2.382037\nSc O F\n1 1 4\ndirect\n-0.106526 -0.106526 -0.000000 Sc\n0.393451 0.393451 0.000000 O\n0.962523 0.462558 0.138090 F\n0.824433 0.962523 0.499966 F\n0.462557 0.324467 0.500034 F\n0.324467 0.824433 0.861909 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 3.7460855005380047,
"density_atomic": 0.09883737703224811,
"volume": 60.70577933328151,
"volume_molar": 6.092979134842004,
"formula_full": "Sc1 O1 F4",
"formula_reduced": "ScOF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4525949800000002,
"spacegroup": 97
},
{
"id": "jvasp-120172",
"created_at": "2022-09-04T14:38:53.160510Z",
"updated_at": "2022-09-04T14:38:53.160542Z",
"structure_string": "Sc2 O3 F1\n1.0\n3.229463 0.000000 0.000000\n0.000000 3.392239 3.482507\n0.000000 -3.392239 3.482507\nSc O F\n2 3 1\ndirect\n0.000000 0.013559 0.013559 Sc\n0.499999 0.491719 0.491719 Sc\n0.499999 0.195315 0.195315 O\n0.000000 0.300423 0.696089 O\n0.000000 0.696089 0.300423 O\n0.499999 0.802897 0.802897 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"O",
"F"
],
"chemical_system": "F-O-Sc",
"density": 3.414731940907788,
"density_atomic": 0.07863438610614477,
"volume": 76.30249687332574,
"volume_molar": 7.658406275177126,
"formula_full": "Sc2 O3 F1",
"formula_reduced": "Sc2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7141668804166663,
"spacegroup": 38
}
]
}