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=structure_string&page=715",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=713",
"results": [
{
"id": "jvasp-96920",
"created_at": "2022-09-04T14:36:02.242650Z",
"updated_at": "2022-09-04T14:36:02.242664Z",
"structure_string": "Bi4 I12 O36\n1.0\n5.905852 0.000000 0.000000\n0.000000 8.816784 -1.099238\n0.000000 -0.010333 15.247373\nBi I O\n4 12 36\ndirect\n0.729569 0.957965 0.601503 Bi\n0.770430 0.457965 0.101503 Bi\n0.229569 0.542035 0.898497 Bi\n0.270431 0.042035 0.398497 Bi\n0.813125 0.777186 0.349556 I\n0.098322 0.383930 0.298692 I\n0.901678 0.616070 0.701308 I\n0.144835 0.163194 0.022818 I\n0.644835 0.336806 0.477182 I\n0.598322 0.116070 0.201308 I\n0.355165 0.663194 0.522818 I\n0.686874 0.277187 0.849556 I\n0.186874 0.222813 0.650443 I\n0.313125 0.722813 0.150443 I\n0.855165 0.836806 0.977182 I\n0.401678 0.883930 0.798692 I\n0.385973 0.068747 0.671484 O\n0.908958 0.087751 0.947212 O\n0.408958 0.412249 0.552788 O\n0.091042 0.912249 0.052788 O\n0.591042 0.587751 0.447212 O\n0.093037 0.357577 0.992287 O\n0.593036 0.142423 0.507713 O\n0.906963 0.642422 0.007713 O\n0.406963 0.857577 0.492287 O\n0.885973 0.431254 0.828515 O\n0.311202 0.085779 0.243416 O\n0.443562 0.353473 0.792555 O\n0.811201 0.414221 0.256584 O\n0.688798 0.914221 0.756584 O\n0.188798 0.585779 0.743415 O\n0.595016 0.949462 0.116726 O\n0.095016 0.550537 0.383274 O\n0.404983 0.050538 0.883274 O\n0.904983 0.449463 0.616726 O\n0.495933 0.263153 0.133529 O\n-0.004067 0.236847 0.366470 O\n0.504067 0.736847 0.866470 O\n0.614027 0.931253 0.328515 O\n0.004067 0.763153 0.633529 O\n0.472304 0.283613 0.376410 O\n0.027696 0.783613 0.876410 O\n0.527695 0.716386 0.623590 O\n0.919249 0.860129 0.458534 O\n0.419249 0.639870 0.041466 O\n0.080751 0.139871 0.541466 O\n0.580751 0.360130 0.958534 O\n0.056438 0.853473 0.292555 O\n0.556438 0.646527 0.207444 O\n0.943562 0.146527 0.707444 O\n0.972304 0.216386 0.123590 O\n0.114027 0.568746 0.171484 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-O",
"density": 6.1386045623115155,
"density_atomic": 0.06550165210336542,
"volume": 793.8731059476328,
"volume_molar": 9.19387613383661,
"formula_full": "Bi4 I12 O36",
"formula_reduced": "Bi(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 1.997339586538461,
"spacegroup": 14
},
{
"id": "jvasp-32749",
"created_at": "2022-09-04T14:37:13.332310Z",
"updated_at": "2022-09-04T14:37:13.332331Z",
"structure_string": "Bi4 I4\n1.0\n4.420422 0.000000 0.000000\n-2.210211 7.022239 -2.305617\n0.000000 -0.094002 10.662660\nBi I\n4 4\ndirect\n0.175533 0.351067 0.986703 Bi\n0.797442 0.594883 0.712789 Bi\n0.202558 0.405117 0.287211 Bi\n0.824467 0.648934 0.013297 Bi\n0.456369 0.912739 0.775948 I\n0.543631 0.087262 0.224051 I\n0.861975 0.723951 0.383133 I\n0.138025 0.276049 0.616867 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"I"
],
"chemical_system": "Bi-I",
"density": 6.760106637970573,
"density_atomic": 0.024240635632404497,
"volume": 330.02434925038546,
"volume_molar": 24.843163567665272,
"formula_full": "Bi4 I4",
"formula_reduced": "BiI",
"formula_anonymous": "AB",
"energy_above_hull": 0.1323347666666666,
"spacegroup": 12
},
{
"id": "jvasp-25037",
"created_at": "2022-09-04T14:38:29.346425Z",
"updated_at": "2022-09-04T14:38:29.346452Z",
"structure_string": "Bi4 Ir4 O14\n1.0\n6.387040 0.000000 3.687560\n2.129013 6.021759 3.687560\n-0.000000 -0.000000 7.375120\nBi Ir O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n-0.000000 0.500000 0.000000 Ir\n0.500000 -0.000000 0.000000 Ir\n0.625000 0.625000 0.625000 O\n0.918969 0.918969 0.331031 O\n0.918969 0.331031 0.918969 O\n0.081030 0.668969 0.081031 O\n0.331030 0.918969 0.331031 O\n0.331031 0.331031 0.918969 O\n0.668969 0.668969 0.081031 O\n0.668969 0.081031 0.081031 O\n0.331030 0.918969 0.918969 O\n0.668969 0.081031 0.668969 O\n0.918969 0.331031 0.331031 O\n0.081031 0.081031 0.668969 O\n0.375000 0.375000 0.375000 O\n0.081030 0.668969 0.668969 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Bi",
"Ir",
"O"
],
"chemical_system": "Bi-Ir-O",
"density": 10.70579069681923,
"density_atomic": 0.07755871112431202,
"volume": 283.6560804206524,
"volume_molar": 7.7646220169229485,
"formula_full": "Bi4 Ir4 O14",
"formula_reduced": "Bi2Ir2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.964241390909091,
"spacegroup": 227
},
{
"id": "jvasp-86038",
"created_at": "2022-09-04T14:36:07.686918Z",
"updated_at": "2022-09-04T14:36:07.686931Z",
"structure_string": "Bi4 Mo2 O12\n1.0\n5.440711 -0.000000 0.000000\n-0.000000 5.117386 -1.733105\n-0.000000 0.106461 8.736025\nBi Mo O\n4 2 12\ndirect\n0.518994 0.171770 0.343539 Bi\n0.481006 0.828230 0.656460 Bi\n0.018994 0.328230 0.656460 Bi\n0.981006 0.671771 0.343539 Bi\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 -0.000000 Mo\n0.926127 0.110803 0.221607 O\n0.250000 0.768674 0.037346 O\n0.750000 0.731327 0.962653 O\n0.426127 0.389197 0.778392 O\n0.750000 0.231327 0.962653 O\n0.250000 0.498174 0.496347 O\n0.250000 0.268673 0.037346 O\n0.750000 0.001826 0.503652 O\n0.573873 0.610803 0.221607 O\n0.073873 0.889198 0.778392 O\n0.750000 0.501826 0.503652 O\n0.250000 0.998175 0.496347 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"O"
],
"chemical_system": "Bi-Mo-O",
"density": 8.293336888958923,
"density_atomic": 0.07369976107351127,
"volume": 244.23417033938597,
"volume_molar": 8.171180845475552,
"formula_full": "Bi4 Mo2 O12",
"formula_reduced": "Bi2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.729533944444445,
"spacegroup": 64
},
{
"id": "jvasp-86637",
"created_at": "2022-09-04T14:36:13.483533Z",
"updated_at": "2022-09-04T14:36:13.483557Z",
"structure_string": "Bi4 Mo2 O12\n1.0\n5.440711 0.000000 -0.000000\n0.000000 5.117386 -1.733105\n-0.000000 0.106461 8.736025\nBi Mo O\n4 2 12\ndirect\n0.518994 0.171770 0.343539 Bi\n0.481006 0.828230 0.656460 Bi\n0.018994 0.328230 0.656460 Bi\n0.981006 0.671771 0.343539 Bi\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 -0.000000 Mo\n0.926127 0.110803 0.221607 O\n0.250000 0.768674 0.037346 O\n0.750000 0.731327 0.962653 O\n0.426127 0.389197 0.778392 O\n0.750000 0.231327 0.962653 O\n0.250000 0.498174 0.496347 O\n0.250000 0.268673 0.037346 O\n0.750000 0.001826 0.503652 O\n0.573873 0.610803 0.221607 O\n0.073873 0.889198 0.778392 O\n0.750000 0.501826 0.503652 O\n0.250000 0.998175 0.496347 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"O"
],
"chemical_system": "Bi-Mo-O",
"density": 8.293336888958923,
"density_atomic": 0.07369976107351127,
"volume": 244.23417033938597,
"volume_molar": 8.171180845475552,
"formula_full": "Bi4 Mo2 O12",
"formula_reduced": "Bi2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.729533944444445,
"spacegroup": 64
},
{
"id": "jvasp-112789",
"created_at": "2022-09-04T14:38:43.747565Z",
"updated_at": "2022-09-04T14:38:43.747593Z",
"structure_string": "Bi4 Mo2 O12\n1.0\n8.719606 0.024464 0.000000\n-7.064279 5.111563 0.000000\n-0.000000 -0.000000 5.434711\nBi Mo O\n4 2 12\ndirect\n0.171689 0.828310 0.518936 Bi\n0.828310 0.171689 0.481064 Bi\n0.328310 0.671689 0.018936 Bi\n0.671689 0.328310 0.981064 Bi\n0.000000 0.000000 0.000000 Mo\n0.500000 0.499999 0.500000 Mo\n0.110951 0.889048 0.925962 O\n0.268822 0.231178 0.250000 O\n0.231178 0.268822 0.750000 O\n0.389048 0.610951 0.425962 O\n0.731178 0.768821 0.750000 O\n0.998077 0.501922 0.250000 O\n0.768821 0.731177 0.250000 O\n0.501922 0.998076 0.750000 O\n0.610951 0.389048 0.574038 O\n0.889048 0.110951 0.074038 O\n0.001922 0.498077 0.750000 O\n0.498077 0.001922 0.250000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"O"
],
"chemical_system": "Bi-Mo-O",
"density": 8.32967401501768,
"density_atomic": 0.07402267542565748,
"volume": 243.16873034503834,
"volume_molar": 8.135535125379468,
"formula_full": "Bi4 Mo2 O12",
"formula_reduced": "Bi2MoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.728653944444445,
"spacegroup": 64
},
{
"id": "jvasp-10359",
"created_at": "2022-09-04T14:36:34.859429Z",
"updated_at": "2022-09-04T14:36:34.859462Z",
"structure_string": "Bi4 O10\n1.0\n10.083326 0.000000 0.000000\n0.000000 5.553368 -2.134861\n0.000000 0.000000 4.269722\nBi O\n4 10\ndirect\n0.188096 0.773531 0.886765 Bi\n0.311904 0.226469 0.613235 Bi\n0.688096 0.226469 0.613235 Bi\n0.811904 0.773531 0.886765 Bi\n0.000000 0.940808 0.970404 O\n0.122577 0.407408 0.703704 O\n0.213800 0.868417 0.434208 O\n0.286200 0.131581 0.065791 O\n0.377423 0.592593 0.796296 O\n0.500000 0.059193 0.529596 O\n0.622578 0.592593 0.796296 O\n0.877423 0.407408 0.703704 O\n0.713800 0.131581 0.065791 O\n0.786201 0.868417 0.434208 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 6.916904374305708,
"density_atomic": 0.05855556484092937,
"volume": 239.08914614745945,
"volume_molar": 10.284489230630088,
"formula_full": "Bi4 O10",
"formula_reduced": "Bi2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.161256585714286,
"spacegroup": 63
},
{
"id": "jvasp-52279",
"created_at": "2022-09-04T14:36:45.403331Z",
"updated_at": "2022-09-04T14:36:45.403355Z",
"structure_string": "Bi4 O2 F8\n1.0\n0.000000 5.708912 0.000000\n-6.494000 2.854456 0.274390\n-1.097730 0.000000 5.630201\nBi O F\n4 2 8\ndirect\n0.888771 0.787813 0.584343 Bi\n0.323417 0.787813 0.084343 Bi\n0.676583 0.212188 0.915657 Bi\n0.111229 0.212188 0.415657 Bi\n0.036009 0.000000 0.750000 O\n0.963990 0.000000 0.250000 O\n0.703059 0.843724 0.953589 F\n0.453216 0.843724 0.453589 F\n0.274831 0.568151 0.832943 F\n0.157018 0.568151 0.332943 F\n0.842982 0.431849 0.667056 F\n0.725169 0.431849 0.167057 F\n0.546784 0.156276 0.546411 F\n0.296941 0.156276 0.046411 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.181124247760598,
"density_atomic": 0.06762870754726232,
"volume": 207.01268008435767,
"volume_molar": 8.904710704091789,
"formula_full": "Bi4 O2 F8",
"formula_reduced": "Bi2OF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.2576618900000001,
"spacegroup": 15
},
{
"id": "jvasp-50837",
"created_at": "2022-09-04T14:37:03.346978Z",
"updated_at": "2022-09-04T14:37:03.346998Z",
"structure_string": "Bi4 O3 F7\n1.0\n0.000000 5.755718 -0.030141\n3.929774 0.000000 0.000000\n0.000000 -0.122719 -8.356076\nBi O F\n4 3 7\ndirect\n0.771461 0.499999 0.118995 Bi\n0.768923 0.499999 0.627631 Bi\n0.257185 0.000000 0.379229 Bi\n0.199092 0.000000 0.876553 Bi\n0.946253 0.499999 0.875124 O\n0.030133 0.000000 0.121257 O\n0.028557 0.000000 0.630244 O\n0.976182 0.499999 0.374799 F\n0.374934 0.499999 0.229885 F\n0.362004 0.499999 0.541624 F\n0.416009 0.499999 0.886196 F\n0.559082 0.000000 0.051933 F\n0.654860 0.000000 0.392595 F\n0.568926 0.000000 0.720285 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.933634168304138,
"density_atomic": 0.07406707132848385,
"volume": 189.0178691946747,
"volume_molar": 8.130658674611421,
"formula_full": "Bi4 O3 F7",
"formula_reduced": "Bi4O3F7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 0.7148792626785714,
"spacegroup": 6
},
{
"id": "jvasp-52326",
"created_at": "2022-09-04T14:37:07.913758Z",
"updated_at": "2022-09-04T14:37:07.913784Z",
"structure_string": "Bi4 O4 F4\n1.0\n0.000000 5.355093 -0.370464\n5.423168 0.000000 0.000000\n0.000000 -0.432893 -6.155721\nBi O F\n4 4 4\ndirect\n0.250464 0.513843 0.710078 Bi\n0.750464 0.986157 0.710078 Bi\n0.249536 0.013843 0.289921 Bi\n0.749536 0.486157 0.289921 Bi\n0.000065 0.250052 0.507066 O\n0.500064 0.249949 0.507066 O\n0.499936 0.750052 0.492933 O\n-0.000064 0.749949 0.492934 O\n0.249624 0.954668 0.857758 F\n0.749623 0.545332 0.857758 F\n0.250377 0.454668 0.142241 F\n0.750376 0.045332 0.142241 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 9.02097345287522,
"density_atomic": 0.06679970329113183,
"volume": 179.64151648549452,
"volume_molar": 9.015220821795905,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2733660275,
"spacegroup": 57
},
{
"id": "jvasp-47737",
"created_at": "2022-09-04T14:38:34.229470Z",
"updated_at": "2022-09-04T14:38:34.229496Z",
"structure_string": "Bi4 O4 F4\n1.0\n0.000000 5.798048 0.015803\n5.850257 0.000000 0.000000\n0.000000 -0.682755 -6.026717\nBi O F\n4 4 4\ndirect\n0.756526 0.542363 0.302008 Bi\n0.756526 0.957638 0.802009 Bi\n0.243474 0.042362 0.197992 Bi\n0.243474 0.457638 0.697993 Bi\n0.928349 0.822369 0.124236 O\n0.928348 0.677631 0.624236 O\n0.071651 0.322369 0.375765 O\n0.071651 0.177631 0.875765 O\n0.560339 0.244799 0.022758 F\n0.560338 0.255202 0.522758 F\n0.439661 0.744799 0.477243 F\n0.439661 0.755202 0.977243 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 7.929698725546424,
"density_atomic": 0.058718887138032486,
"volume": 204.36354612428522,
"volume_molar": 10.255883674776651,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2860626941666668,
"spacegroup": 14
},
{
"id": "jvasp-52295",
"created_at": "2022-09-04T14:36:35.670033Z",
"updated_at": "2022-09-04T14:36:35.670063Z",
"structure_string": "Bi4 O4 F4\n1.0\n3.626646 0.000000 0.000000\n0.000000 6.403873 0.000000\n0.000000 0.000000 7.671651\nBi O F\n4 4 4\ndirect\n0.750001 0.207407 0.102998 Bi\n0.250000 0.292593 0.602998 Bi\n0.750001 0.707407 0.397002 Bi\n0.250000 0.792592 0.897002 Bi\n0.750001 0.011244 0.858252 O\n0.250000 0.488756 0.358252 O\n0.750001 0.511244 0.641748 O\n0.250000 0.988755 0.141748 O\n0.750001 0.140112 0.420383 F\n0.250000 0.359887 0.920383 F\n0.750001 0.640112 0.079617 F\n0.250000 0.859887 0.579617 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 9.095433510991576,
"density_atomic": 0.06735107502669854,
"volume": 178.17087544991819,
"volume_molar": 8.941417427431965,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2854126941666668,
"spacegroup": 62
}
]
}