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_reduced&page=709",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=707",
"results": [
{
"id": "jvasp-52247",
"created_at": "2022-09-04T14:36:35.964733Z",
"updated_at": "2022-09-04T14:36:35.964753Z",
"structure_string": "Bi4 O4 F4\n1.0\n3.785530 0.000000 0.000000\n-0.000000 6.309462 0.000000\n0.000000 0.000000 7.307044\nBi O F\n4 4 4\ndirect\n0.250000 0.220563 0.908258 Bi\n0.750000 0.279437 0.408258 Bi\n0.250000 0.720562 0.591742 Bi\n0.750000 0.779437 0.091742 Bi\n0.750000 0.140163 0.069754 O\n0.250000 0.359837 0.569754 O\n0.750000 0.640163 0.430245 O\n0.250000 0.859837 0.930245 O\n0.750000 0.040136 0.666475 F\n0.250000 0.459864 0.166475 F\n0.750000 0.540136 0.833524 F\n0.250000 0.959863 0.333525 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 9.285373410183093,
"density_atomic": 0.06875756723903254,
"volume": 174.52624462821015,
"volume_molar": 8.758513428877295,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2764593608333336,
"spacegroup": 62
},
{
"id": "jvasp-117715",
"created_at": "2022-09-04T14:38:26.622285Z",
"updated_at": "2022-09-04T14:38:26.622304Z",
"structure_string": "Bi1 O1 F1\n1.0\n5.767464 -0.000000 -0.000000\n-0.000000 5.767464 0.000000\n-0.000000 0.000000 8.310096\nBi O F\n1 1 1\ndirect\n0.000000 0.000000 0.314749 Bi\n0.000000 0.000000 0.075652 O\n0.000000 0.000000 0.580740 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 1.4656298462085735,
"density_atomic": 0.010852890696641549,
"volume": 276.424049947205,
"volume_molar": 55.48881794104464,
"formula_full": "Bi1 O1 F1",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8740060275000002,
"spacegroup": 99
},
{
"id": "jvasp-117713",
"created_at": "2022-09-04T14:38:26.677298Z",
"updated_at": "2022-09-04T14:38:26.677331Z",
"structure_string": "Bi1 O1 F1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nBi O F\n1 1 1\ndirect\n-0.020367 -0.032659 0.000000 Bi\n-0.001910 0.278786 0.000000 O\n0.280520 -0.001833 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 2.0276418527459463,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Bi1 O1 F1",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7343626941666669,
"spacegroup": 6
},
{
"id": "jvasp-117716",
"created_at": "2022-09-04T14:38:26.621363Z",
"updated_at": "2022-09-04T14:38:26.621390Z",
"structure_string": "Bi2 O2 F2\n1.0\n1.995754 1.152249 6.738350\n-1.995754 1.152249 6.738350\n-0.000000 -2.304499 6.738350\nBi O F\n2 2 2\ndirect\n0.240134 0.240134 0.240134 Bi\n0.759866 0.759866 0.759866 Bi\n0.872821 0.872821 0.872821 O\n0.127180 0.127180 0.127180 O\n0.623834 0.623834 0.623834 F\n0.376167 0.376167 0.376167 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.71508911490173,
"density_atomic": 0.06453465028717681,
"volume": 92.97330927339378,
"volume_molar": 9.331639256123179,
"formula_full": "Bi2 O2 F2",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2785693608333335,
"spacegroup": 166
},
{
"id": "jvasp-30163",
"created_at": "2022-09-04T14:37:07.450304Z",
"updated_at": "2022-09-04T14:37:07.450327Z",
"structure_string": "Bi2 O2 F2\n1.0\n3.974732 0.000000 0.000000\n-1.987366 1.147406 6.827546\n1.987366 -3.442219 -0.000000\nBi O F\n2 2 2\ndirect\n0.594120 0.782361 0.594120 Bi\n0.405880 0.217639 0.405880 Bi\n0.296365 0.889096 0.296364 O\n0.703635 0.110905 0.703635 O\n0.119761 0.359282 0.119760 F\n0.880240 0.640719 0.880239 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.673994414415835,
"density_atomic": 0.06423034678671359,
"volume": 93.41378803268634,
"volume_molar": 9.37584967429401,
"formula_full": "Bi2 O2 F2",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2912160275000002,
"spacegroup": 166
},
{
"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-52378",
"created_at": "2022-09-04T14:37:06.663511Z",
"updated_at": "2022-09-04T14:37:06.663522Z",
"structure_string": "Bi8 O8 F8\n1.0\n0.000000 8.241588 0.025478\n3.948046 0.000000 0.000000\n0.000000 -4.056697 -11.625174\nBi O F\n8 8 8\ndirect\n0.921574 0.750001 0.124429 Bi\n0.825827 0.250000 0.403367 Bi\n0.675292 0.750001 0.657166 Bi\n0.449467 0.750001 0.124215 Bi\n0.550532 0.250000 0.875785 Bi\n0.324708 0.250000 0.342834 Bi\n0.174173 0.750001 0.596633 Bi\n0.078426 0.250000 0.875571 Bi\n0.119759 0.250000 0.493962 O\n0.353297 0.250000 0.987487 O\n0.246857 0.750001 0.240280 O\n0.492467 0.750001 0.753919 O\n0.507532 0.250000 0.246080 O\n0.753143 0.250000 0.759720 O\n0.646703 0.750001 0.012513 O\n0.880241 0.750001 0.506037 O\n0.900469 0.250000 0.010298 F\n0.982409 0.250000 0.243505 F\n0.763960 0.750001 0.251208 F\n0.614587 0.250000 0.496636 F\n0.385413 0.750001 0.503363 F\n0.236040 0.250000 0.748792 F\n0.017590 0.750001 0.756495 F\n0.099530 0.750001 0.989702 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.577610116845635,
"density_atomic": 0.06351662752867039,
"volume": 377.85381456480485,
"volume_molar": 9.481203575050802,
"formula_full": "Bi8 O8 F8",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3043093608333336,
"spacegroup": 11
},
{
"id": "jvasp-117717",
"created_at": "2022-09-04T14:38:27.750324Z",
"updated_at": "2022-09-04T14:38:27.750354Z",
"structure_string": "Bi1 O1 F2\n1.0\n3.463033 -0.000000 -0.000000\n0.000000 3.463033 -0.000000\n0.000000 0.000000 4.472927\nBi O F\n1 1 2\ndirect\n0.500000 0.500000 0.676916 Bi\n0.000000 0.000000 0.822511 O\n0.000000 0.000000 0.357238 F\n0.500000 0.500000 0.153335 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 8.140688625764826,
"density_atomic": 0.07456841652304251,
"volume": 53.64201342218328,
"volume_molar": 8.075993886954926,
"formula_full": "Bi1 O1 F2",
"formula_reduced": "BiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4225245912499999,
"spacegroup": 99
},
{
"id": "jvasp-117718",
"created_at": "2022-09-04T14:38:53.449194Z",
"updated_at": "2022-09-04T14:38:53.449215Z",
"structure_string": "Bi1 O1 F2\n1.0\n3.516459 -2.129211 0.154582\n3.516459 2.129211 0.154582\n-0.461581 0.000000 4.109229\nBi O F\n1 1 2\ndirect\n-0.089918 0.089918 0.000000 Bi\n0.838322 0.161678 0.499999 O\n0.537604 0.795009 0.939880 F\n0.204992 0.462397 0.060118 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 7.061750932959199,
"density_atomic": 0.06468538586333814,
"volume": 61.83776979317809,
"volume_molar": 9.309893849474863,
"formula_full": "Bi1 O1 F2",
"formula_reduced": "BiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3249795912499998,
"spacegroup": 5
},
{
"id": "jvasp-120004",
"created_at": "2022-09-04T14:38:37.046012Z",
"updated_at": "2022-09-04T14:38:37.046033Z",
"structure_string": "Bi1 P1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nBi P\n1 1\ndirect\n0.000000 0.000000 0.862371 Bi\n0.000000 0.000000 0.137628 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"P"
],
"chemical_system": "Bi-P",
"density": 0.6859427671467502,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "Bi1 P1",
"formula_reduced": "BiP",
"formula_anonymous": "AB",
"energy_above_hull": 2.4205649,
"spacegroup": 99
},
{
"id": "jvasp-123557",
"created_at": "2022-09-04T14:38:54.190888Z",
"updated_at": "2022-09-04T14:38:54.190915Z",
"structure_string": "Bi1 P3\n1.0\n3.510181 -0.000000 -1.124004\n-0.034566 4.572038 -0.107948\n-0.068940 -0.150978 5.827721\nBi P\n1 3\ndirect\n0.368906 0.919119 0.737815 Bi\n0.612260 0.126010 0.224519 P\n0.107664 0.445060 0.215328 P\n0.911168 0.509812 0.822337 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"P"
],
"chemical_system": "Bi-P",
"density": 5.384171364258385,
"density_atomic": 0.042959995715599074,
"volume": 93.109878932031,
"volume_molar": 14.018019926881228,
"formula_full": "Bi1 P3",
"formula_reduced": "BiP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4815577,
"spacegroup": 8
},
{
"id": "jvasp-98366",
"created_at": "2022-09-04T14:35:58.658141Z",
"updated_at": "2022-09-04T14:35:58.658164Z",
"structure_string": "Bi2 P8 H2 O24\n1.0\n6.568346 -0.003359 -2.661646\n-3.521165 7.746035 -1.328927\n0.008659 -0.057539 8.873393\nBi P H O\n2 8 2 24\ndirect\n0.093802 0.259303 0.259153 Bi\n0.906199 0.740696 0.740846 Bi\n0.091826 0.393830 0.664194 P\n0.908175 0.606169 0.335805 P\n0.214639 0.198796 0.893907 P\n0.785362 0.801203 0.106092 P\n0.428463 0.872646 0.160043 P\n0.571538 0.127353 0.839956 P\n0.383684 0.711852 0.418336 P\n0.616317 0.288147 0.581663 P\n0.531363 0.151362 0.244083 H\n0.468638 0.848637 0.755916 H\n0.877017 0.421657 0.301327 O\n0.828828 0.262584 0.578206 O\n0.171173 0.737415 0.421793 O\n0.685700 0.458582 0.708524 O\n0.314301 0.541417 0.291475 O\n0.550649 0.759527 0.602681 O\n0.449352 0.240472 0.397318 O\n0.517937 0.133433 0.649977 O\n0.814972 0.197402 0.955204 O\n0.185029 0.802597 0.044795 O\n0.122984 0.578342 0.698672 O\n0.574514 0.065483 0.190222 O\n0.538809 0.764440 0.094318 O\n0.461192 0.235559 0.905681 O\n0.958208 0.963441 0.251006 O\n0.041793 0.036559 0.748993 O\n0.482064 0.866566 0.350022 O\n0.248179 0.213380 0.072851 O\n0.811779 0.633765 0.149835 O\n0.188222 0.366234 0.850164 O\n0.812921 0.676272 0.441383 O\n0.187080 0.323728 0.558616 O\n0.425487 0.934516 0.809777 O\n0.751822 0.786619 0.927148 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Bi",
"P",
"H",
"O"
],
"chemical_system": "Bi-H-O-P",
"density": 3.8767651165004127,
"density_atomic": 0.07991151981873792,
"volume": 450.4982520875369,
"volume_molar": 7.536010795014199,
"formula_full": "Bi2 P8 H2 O24",
"formula_reduced": "BiP4HO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.981893794444444,
"spacegroup": 2
}
]
}