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=4041",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4039",
"results": [
{
"id": "jvasp-110319",
"created_at": "2022-09-04T14:37:54.275773Z",
"updated_at": "2022-09-04T14:37:54.275798Z",
"structure_string": "W2 O6\n1.0\n3.884838 -0.005792 0.000000\n-0.006955 3.884836 0.000000\n-0.000000 0.000000 7.552760\nW O\n2 6\ndirect\n0.554031 0.445969 0.750000 W\n0.445968 0.554032 0.250000 W\n0.500000 0.500001 0.500000 O\n0.500000 0.500001 -0.000000 O\n0.481682 0.017267 0.250000 O\n0.982733 0.518319 0.250000 O\n0.518317 0.982735 0.750000 O\n0.017266 0.481682 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.754822809973956,
"density_atomic": 0.07018428159738907,
"volume": 113.98563635504405,
"volume_molar": 8.580469334353108,
"formula_full": "W2 O6",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.234462625,
"spacegroup": 63
},
{
"id": "jvasp-110318",
"created_at": "2022-09-04T14:37:53.849066Z",
"updated_at": "2022-09-04T14:37:53.849094Z",
"structure_string": "Rb2 Co1 F6\n1.0\n5.120344 -0.000000 2.956232\n1.706781 4.827507 2.956232\n-0.000000 -0.000000 5.912464\nRb Co F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Co\n0.783119 0.783121 0.216879 F\n0.783119 0.216880 0.783120 F\n0.216879 0.783121 0.216879 F\n0.216880 0.216880 0.783120 F\n0.216879 0.783121 0.783119 F\n0.783119 0.216880 0.216880 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Co",
"F"
],
"chemical_system": "Co-F-Rb",
"density": 3.9069621429444923,
"density_atomic": 0.06158173899311045,
"volume": 146.14722070461323,
"volume_molar": 9.779101497399635,
"formula_full": "Rb2 Co1 F6",
"formula_reduced": "Rb2CoF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110316",
"created_at": "2022-09-04T14:38:18.120935Z",
"updated_at": "2022-09-04T14:38:18.120959Z",
"structure_string": "La2 Mo1 O6\n1.0\n4.158532 0.000406 -7.594160\n-0.271907 4.149634 -7.594160\n-0.000380 -0.000406 8.658213\nLa Mo O\n2 1 6\ndirect\n0.679818 0.679819 -0.000001 La\n0.320180 0.320181 -0.000000 La\n0.000000 0.000000 0.000000 Mo\n0.298615 0.834313 -0.000001 O\n0.701383 0.701383 0.535695 O\n0.834312 0.298617 -0.000000 O\n0.165687 0.165687 0.464302 O\n0.749999 0.250000 0.499999 O\n0.249999 0.749999 0.499998 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"La",
"Mo",
"O"
],
"chemical_system": "La-Mo-O",
"density": 5.221641588341129,
"density_atomic": 0.06024709919318419,
"volume": 149.38478566646373,
"volume_molar": 9.995735629843054,
"formula_full": "La2 Mo1 O6",
"formula_reduced": "La2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.837400766666667,
"spacegroup": 121
},
{
"id": "jvasp-110315",
"created_at": "2022-09-04T14:38:14.402525Z",
"updated_at": "2022-09-04T14:38:14.402551Z",
"structure_string": "La2 Fe2 P2 O2\n1.0\n3.930944 -0.000000 0.000000\n0.000000 3.930944 0.000000\n-0.000000 -0.000000 8.451415\nLa Fe P O\n2 2 2 2\ndirect\n0.499999 0.000000 0.152416 La\n-0.000000 0.499999 0.847583 La\n0.000000 0.000000 0.500000 Fe\n0.499999 0.499999 0.500000 Fe\n0.499999 0.000000 0.625627 P\n-0.000000 0.499999 0.374373 P\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-La-O-P",
"density": 6.147167717424109,
"density_atomic": 0.061258568682186446,
"volume": 130.59397521193378,
"volume_molar": 9.830691264177702,
"formula_full": "La2 Fe2 P2 O2",
"formula_reduced": "LaFePO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.1410448750000004,
"spacegroup": 129
},
{
"id": "jvasp-110314",
"created_at": "2022-09-04T14:38:16.272323Z",
"updated_at": "2022-09-04T14:38:16.272343Z",
"structure_string": "Sr2 Co2 O6\n1.0\n5.399465 0.000000 0.000056\n-2.699735 3.817878 2.699702\n0.000002 0.000000 5.399454\nSr Co O\n2 2 6\ndirect\n0.750000 0.500000 0.750000 Sr\n0.250000 0.500000 0.250000 Sr\n0.499999 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.249997 0.000000 0.249997 O\n0.750002 -0.000000 0.750003 O\n0.249998 0.499996 0.750001 O\n0.750002 0.500004 0.249999 O\n0.249998 -0.000000 0.750001 O\n0.750001 -0.000000 0.249999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 5.804847568241405,
"density_atomic": 0.08984157928647607,
"volume": 111.30703711377555,
"volume_molar": 6.703066450777005,
"formula_full": "Sr2 Co2 O6",
"formula_reduced": "SrCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7273255420000002,
"spacegroup": 221
},
{
"id": "jvasp-110313",
"created_at": "2022-09-04T14:37:57.756310Z",
"updated_at": "2022-09-04T14:37:57.756334Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.763174 0.000071 0.824312\n1.258980 2.459703 0.824308\n0.023610 0.014439 4.966340\nLi Ni O\n1 1 2\ndirect\n0.500001 0.500001 0.499997 Li\n0.999999 0.999998 0.000001 Ni\n0.258575 0.258576 0.224308 O\n0.741423 0.741422 0.775695 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.812514731001713,
"density_atomic": 0.11873682775810396,
"volume": 33.68794733297896,
"volume_molar": 5.071839018866647,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.26716235,
"spacegroup": 166
},
{
"id": "jvasp-110312",
"created_at": "2022-09-04T14:37:57.531932Z",
"updated_at": "2022-09-04T14:37:57.531955Z",
"structure_string": "Ge3 I6\n1.0\n4.262648 0.000000 -0.000000\n-2.131324 3.691561 -0.000000\n0.000000 0.000000 20.889279\nGe I\n3 6\ndirect\n0.000000 -0.000000 0.000000 Ge\n0.333334 0.666666 0.333382 Ge\n0.666667 0.333333 0.666618 Ge\n1.000000 0.000000 0.248293 I\n0.000001 0.999999 0.751707 I\n0.333334 0.666666 0.085098 I\n0.666667 0.333333 0.914902 I\n0.333334 0.666666 0.581532 I\n0.666667 0.333333 0.418468 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ge",
"I"
],
"chemical_system": "Ge-I",
"density": 4.947350099070568,
"density_atomic": 0.027379753810104834,
"volume": 328.7100410916931,
"volume_molar": 21.99486818532844,
"formula_full": "Ge3 I6",
"formula_reduced": "GeI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-110311",
"created_at": "2022-09-04T14:38:15.443323Z",
"updated_at": "2022-09-04T14:38:15.443351Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n5.972534 -0.057197 -1.632549\n-0.653792 2.761341 -0.020430\n-0.062232 0.030464 5.902020\nLi Cr Co O\n1 1 2 6\ndirect\n0.333326 0.671872 0.833294 Li\n0.333324 0.748226 0.333332 Cr\n0.667244 0.307824 0.657159 Co\n0.999434 0.973888 0.009520 Co\n0.020753 0.481542 0.227808 O\n0.337723 0.206099 0.564072 O\n0.328947 0.201900 0.102612 O\n0.677676 0.812581 0.873562 O\n0.645903 0.794315 0.438864 O\n0.989003 0.468403 0.793111 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.676210170269226,
"density_atomic": 0.10322876551906458,
"volume": 96.87222306415329,
"volume_molar": 5.833781630264497,
"formula_full": "Li1 Cr1 Co2 O6",
"formula_reduced": "LiCr(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.0205800200000006,
"spacegroup": 5
},
{
"id": "jvasp-110310",
"created_at": "2022-09-04T14:37:55.558024Z",
"updated_at": "2022-09-04T14:37:55.558051Z",
"structure_string": "Cr4 O4\n1.0\n4.199700 0.058866 -0.000011\n-0.073415 5.225996 0.000003\n-0.000004 -0.000000 4.194444\nCr O\n4 4\ndirect\n0.400026 0.900002 0.500005 Cr\n0.400026 0.399999 -0.000007 Cr\n0.900026 0.900003 0.000007 Cr\n0.900027 0.399999 0.499993 Cr\n0.650025 0.150000 0.249968 O\n0.150023 0.150000 0.749969 O\n0.650023 0.650000 0.250030 O\n0.150024 0.650002 0.750031 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.90503387863445,
"density_atomic": 0.08688458636207808,
"volume": 92.07617064160537,
"volume_molar": 6.9311957530690895,
"formula_full": "Cr4 O4",
"formula_reduced": "CrO",
"formula_anonymous": "AB",
"energy_above_hull": 1.63796045,
"spacegroup": 131
},
{
"id": "jvasp-11031",
"created_at": "2022-09-04T14:37:16.912841Z",
"updated_at": "2022-09-04T14:37:16.912859Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n2.926509 0.001814 0.002209\n1.458984 6.866941 -0.145194\n1.455620 2.486637 7.791117\nCa Fe O\n2 4 8\ndirect\n0.381097 0.086793 0.150834 Ca\n0.612913 0.947338 0.826790 Ca\n0.587353 0.625218 0.199985 Fe\n0.159711 0.216916 0.463563 Fe\n0.842695 0.801743 0.512764 Fe\n0.406351 0.402947 0.784224 Fe\n0.839169 0.589022 0.732535 O\n0.438419 0.752135 0.370912 O\n0.562529 0.289539 0.585328 O\n0.149406 0.432014 0.269056 O\n0.066338 0.807692 0.059567 O\n0.769978 0.104757 0.355140 O\n0.933643 0.223844 0.908714 O\n0.217157 0.945657 0.619929 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.546991021553266,
"density_atomic": 0.08883637606272254,
"volume": 157.59310116517315,
"volume_molar": 6.778913128725663,
"formula_full": "Ca2 Fe4 O8",
"formula_reduced": "Ca(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.354513631428571,
"spacegroup": 8
},
{
"id": "jvasp-110309",
"created_at": "2022-09-04T14:38:37.862153Z",
"updated_at": "2022-09-04T14:38:37.862187Z",
"structure_string": "Na2 Ni2 O4\n1.0\n2.965863 0.041499 -0.028855\n-1.522287 2.551396 0.058113\n0.100668 -0.170074 10.428262\nNa Ni O\n2 2 4\ndirect\n0.666948 0.333633 0.249999 Na\n0.333057 0.666377 0.750001 Na\n-0.000002 -0.000001 0.499995 Ni\n0.000001 -0.000000 0.000003 Ni\n0.334198 0.667481 0.404032 O\n0.665805 0.332526 0.595969 O\n0.665814 0.332688 0.904033 O\n0.334181 0.667309 0.095967 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.743055420196301,
"density_atomic": 0.10050264809337389,
"volume": 79.59989265723077,
"volume_molar": 5.992021975784176,
"formula_full": "Na2 Ni2 O4",
"formula_reduced": "NaNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9607546,
"spacegroup": 194
},
{
"id": "jvasp-110308",
"created_at": "2022-09-04T14:38:16.641034Z",
"updated_at": "2022-09-04T14:38:16.641052Z",
"structure_string": "Al1 Cu1 F5\n1.0\n4.938284 0.004043 -1.378420\n-0.928421 3.216586 -3.883081\n-0.019601 -0.004043 5.127018\nAl Cu F\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Cu\n0.794956 0.500000 0.294957 F\n0.205044 0.500001 0.705045 F\n0.253694 0.253694 0.000000 F\n0.746305 0.746306 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cu",
"F"
],
"chemical_system": "Al-Cu-F",
"density": 3.7896898003959656,
"density_atomic": 0.08611184858798349,
"volume": 81.28962639616144,
"volume_molar": 6.993393892649939,
"formula_full": "Al1 Cu1 F5",
"formula_reduced": "AlCuF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 71
}
]
}