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=-formula_anonymous&page=564",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=562",
"results": [
{
"id": "jvasp-8083",
"created_at": "2022-09-04T14:36:53.753902Z",
"updated_at": "2022-09-04T14:36:53.753936Z",
"structure_string": "K1 Nb1 O3\n1.0\n4.026703 0.000000 0.000000\n0.000000 4.087169 -0.015819\n0.000000 0.001363 4.087200\nK Nb O\n1 1 3\ndirect\n0.500000 0.512894 0.487105 K\n0.000000 0.000736 -0.000736 Nb\n0.000000 0.532348 0.971121 O\n0.000000 0.028878 0.467651 O\n0.500000 0.033141 0.966858 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Nb",
"O"
],
"chemical_system": "K-Nb-O",
"density": 4.443548319188323,
"density_atomic": 0.07433123698148901,
"volume": 67.2664710429233,
"volume_molar": 8.101763140978962,
"formula_full": "K1 Nb1 O3",
"formula_reduced": "KNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.97690358,
"spacegroup": 38
},
{
"id": "jvasp-101036",
"created_at": "2022-09-04T14:36:48.137912Z",
"updated_at": "2022-09-04T14:36:48.137925Z",
"structure_string": "Yb1 Zn1 O3\n1.0\n3.805613 -0.000000 0.000000\n0.000000 3.805613 0.000000\n-0.000000 -0.000000 3.805613\nYb Zn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"O"
],
"chemical_system": "O-Yb-Zn",
"density": 8.630179186582243,
"density_atomic": 0.09071855801624353,
"volume": 55.11551450260849,
"volume_molar": 6.638267727890595,
"formula_full": "Yb1 Zn1 O3",
"formula_reduced": "YbZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.6825123199999998,
"spacegroup": 221
},
{
"id": "jvasp-4005",
"created_at": "2022-09-04T14:36:57.093842Z",
"updated_at": "2022-09-04T14:36:57.093862Z",
"structure_string": "Na3 Cl1 O1\n1.0\n4.490933 0.000000 0.000000\n0.000000 4.490933 0.000000\n0.000000 0.000000 4.490933\nNa Cl O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 2.207720813063717,
"density_atomic": 0.05520269450633748,
"volume": 90.575288846199,
"volume_molar": 10.909142776189366,
"formula_full": "Na3 Cl1 O1",
"formula_reduced": "Na3ClO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.00387,
"spacegroup": 221
},
{
"id": "jvasp-55605",
"created_at": "2022-09-04T14:36:40.563659Z",
"updated_at": "2022-09-04T14:36:40.563674Z",
"structure_string": "Na4 I4 O12\n1.0\n5.733492 -0.000000 0.000000\n0.000000 6.379038 0.000000\n0.000000 0.000000 8.084172\nNa I O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.010762 0.007384 0.250000 I\n0.510762 0.492616 0.750000 I\n0.489238 0.507384 0.250000 I\n0.989238 0.992616 0.750000 I\n0.207204 0.404502 0.750000 O\n0.707204 0.095499 0.250000 O\n0.138551 0.165237 0.081835 O\n0.638551 0.334763 0.918165 O\n0.361449 0.665237 0.418165 O\n0.638551 0.334763 0.581835 O\n0.861449 0.834764 0.918165 O\n0.361449 0.665237 0.081835 O\n0.792795 0.595499 0.250000 O\n0.138551 0.165237 0.418165 O\n0.861449 0.834764 0.581835 O\n0.292796 0.904502 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"I",
"O"
],
"chemical_system": "I-Na-O",
"density": 4.445579134387994,
"density_atomic": 0.0676425623274455,
"volume": 295.6718272022811,
"volume_molar": 8.902886810892669,
"formula_full": "Na4 I4 O12",
"formula_reduced": "NaIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2489955525000005,
"spacegroup": 62
},
{
"id": "jvasp-107182",
"created_at": "2022-09-04T14:36:47.347077Z",
"updated_at": "2022-09-04T14:36:47.347097Z",
"structure_string": "K1 Al1 O3\n1.0\n3.843309 -0.000000 0.000000\n0.000000 3.843309 0.000000\n0.000000 0.000000 3.843309\nK Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Al",
"O"
],
"chemical_system": "Al-K-O",
"density": 3.336838857723088,
"density_atomic": 0.08807529279167683,
"volume": 56.76960974545296,
"volume_molar": 6.837491615547711,
"formula_full": "K1 Al1 O3",
"formula_reduced": "KAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3127442599999997,
"spacegroup": 221
},
{
"id": "jvasp-105115",
"created_at": "2022-09-04T14:36:47.366854Z",
"updated_at": "2022-09-04T14:36:47.366877Z",
"structure_string": "Al1 Ag1 O3\n1.0\n3.738976 -0.000000 0.000000\n0.000000 3.738976 0.000000\n-0.000000 -0.000000 3.738976\nAl Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.500001 O\n-0.000000 0.500001 -0.000000 O\n0.500001 0.000000 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Ag",
"O"
],
"chemical_system": "Ag-Al-O",
"density": 5.80872924260587,
"density_atomic": 0.0956559461802689,
"volume": 52.270665856748984,
"volume_molar": 6.2956261481653675,
"formula_full": "Al1 Ag1 O3",
"formula_reduced": "AlAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.554300112,
"spacegroup": 221
},
{
"id": "jvasp-102552",
"created_at": "2022-09-04T14:36:45.410527Z",
"updated_at": "2022-09-04T14:36:45.410553Z",
"structure_string": "Sr1 Zn1 O3\n1.0\n3.946084 -0.000000 0.000000\n0.000000 3.946084 0.000000\n-0.000000 -0.000000 3.946084\nSr Zn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Zn\n0.499999 0.499999 -0.000000 O\n0.499999 0.000000 0.499999 O\n-0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"O"
],
"chemical_system": "O-Sr-Zn",
"density": 5.432565154784742,
"density_atomic": 0.08137125737534708,
"volume": 61.44675849036152,
"volume_molar": 7.400820577493643,
"formula_full": "Sr1 Zn1 O3",
"formula_reduced": "SrZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7410114419999998,
"spacegroup": 221
},
{
"id": "jvasp-15124",
"created_at": "2022-09-04T14:36:57.139375Z",
"updated_at": "2022-09-04T14:36:57.139392Z",
"structure_string": "Ba1 Nb1 O3\n1.0\n4.149526 0.000000 -0.000000\n0.000000 4.149526 0.000000\n-0.000000 0.000000 4.149526\nBa Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.466362527825747,
"density_atomic": 0.06998009600709841,
"volume": 71.44888740210969,
"volume_molar": 8.605505141617904,
"formula_full": "Ba1 Nb1 O3",
"formula_reduced": "BaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.052573174,
"spacegroup": 221
},
{
"id": "jvasp-16918",
"created_at": "2022-09-04T14:36:56.098225Z",
"updated_at": "2022-09-04T14:36:56.098250Z",
"structure_string": "Y1 Sb1 O3\n1.0\n4.230816 0.000000 0.000000\n-0.000000 4.230816 -0.000000\n0.000000 -0.000000 4.230816\nY Sb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.500001 Sb\n0.000000 0.500001 0.500001 O\n0.500001 0.000000 0.500001 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Sb",
"O"
],
"chemical_system": "O-Sb-Y",
"density": 5.6716935390971095,
"density_atomic": 0.06602335510448563,
"volume": 75.73077726945597,
"volume_molar": 9.121228011617445,
"formula_full": "Y1 Sb1 O3",
"formula_reduced": "YSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.16944041,
"spacegroup": 221
},
{
"id": "jvasp-1237",
"created_at": "2022-09-04T14:36:48.261041Z",
"updated_at": "2022-09-04T14:36:48.261068Z",
"structure_string": "Sr2 Ti2 O6\n1.0\n4.803531 0.000000 -2.772782\n-1.600556 4.529032 -2.772782\n0.008685 0.012282 5.562225\nSr Ti O\n2 2 6\ndirect\n0.750000 0.250000 0.500001 Sr\n0.250000 0.749999 0.500000 Sr\n0.499999 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.772962 0.272962 0.000000 O\n0.727036 0.772962 -0.000000 O\n0.272962 0.227037 -0.000000 O\n0.227037 0.727037 -0.000000 O\n0.250000 0.250000 0.500001 O\n0.749999 0.749999 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti",
"density": 5.022188528838611,
"density_atomic": 0.08241625551917874,
"volume": 121.33528679512675,
"volume_molar": 7.306981762352226,
"formula_full": "Sr2 Ti2 O6",
"formula_reduced": "SrTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5513030286666667,
"spacegroup": 140
},
{
"id": "jvasp-15242",
"created_at": "2022-09-04T14:36:44.530017Z",
"updated_at": "2022-09-04T14:36:44.530039Z",
"structure_string": "Nd1 B1 Rh3\n1.0\n4.256273 0.000000 0.000000\n-0.000000 4.256273 0.000000\n-0.000000 -0.000000 4.256273\nNd B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"B",
"Rh"
],
"chemical_system": "B-Nd-Rh",
"density": 9.987639375272598,
"density_atomic": 0.06484575872151527,
"volume": 77.10604515359063,
"volume_molar": 9.286869147236773,
"formula_full": "Nd1 B1 Rh3",
"formula_reduced": "NdBRh3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.011488616666667,
"spacegroup": 221
},
{
"id": "jvasp-49808",
"created_at": "2022-09-04T14:36:44.492520Z",
"updated_at": "2022-09-04T14:36:44.492533Z",
"structure_string": "Lu2 Al2 O6\n1.0\n2.622162 1.513906 4.181385\n-2.622162 1.513906 4.181385\n-0.000000 -3.027812 4.181385\nLu Al O\n2 2 6\ndirect\n0.250001 0.250001 0.250000 Lu\n0.750002 0.750002 0.749999 Lu\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.499999 Al\n0.250002 0.836686 0.663315 O\n0.336686 0.750001 0.163315 O\n0.163316 0.336686 0.750000 O\n0.836686 0.663317 0.249999 O\n0.663316 0.250001 0.836684 O\n0.750001 0.163316 0.336684 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Lu",
"Al",
"O"
],
"chemical_system": "Al-Lu-O",
"density": 8.334829698199709,
"density_atomic": 0.10040842691462262,
"volume": 99.59323442546321,
"volume_molar": 5.997644764538172,
"formula_full": "Lu2 Al2 O6",
"formula_reduced": "LuAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4629198099999996,
"spacegroup": 167
}
]
}