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=-elements&page=448",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=446",
"results": [
{
"id": "jvasp-42542",
"created_at": "2022-09-04T14:38:11.837587Z",
"updated_at": "2022-09-04T14:38:11.837604Z",
"structure_string": "Li1 Fe3 O3 F4\n1.0\n4.030445 2.326979 2.100034\n-4.030445 2.326979 2.100034\n-0.000000 -4.653958 2.100034\nLi Fe O F\n1 3 3 4\ndirect\n0.926377 0.926377 0.926377 Li\n0.172638 0.529746 0.529746 Fe\n0.529745 0.529745 0.172638 Fe\n0.529746 0.172638 0.529746 Fe\n0.397955 0.767810 0.397955 O\n0.397955 0.397955 0.767810 O\n0.767810 0.397955 0.397955 O\n0.203320 0.828649 0.828649 F\n0.230078 0.230078 0.230078 F\n0.828649 0.828649 0.203320 F\n0.828649 0.203320 0.828649 F\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.19395301700024,
"density_atomic": 0.09308284434120824,
"volume": 118.17430030047164,
"volume_molar": 6.469657005672277,
"formula_full": "Li1 Fe3 O3 F4",
"formula_reduced": "LiFe3O3F4",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.7823125572727272,
"spacegroup": 160
},
{
"id": "jvasp-44787",
"created_at": "2022-09-04T14:38:11.286512Z",
"updated_at": "2022-09-04T14:38:11.286528Z",
"structure_string": "Li1 Fe3 O2 F6\n1.0\n-4.913011 0.524666 -0.055888\n0.463589 4.351086 -0.693555\n-0.028788 -0.891450 -5.573652\nLi Fe O F\n1 3 2 6\ndirect\n-0.227652 0.999023 0.656767 Li\n0.272344 0.499082 0.920585 Fe\n0.772326 0.499044 0.156803 Fe\n0.272286 0.499006 0.393038 Fe\n0.444762 0.288305 0.156700 O\n0.099888 0.709786 0.156921 O\n0.947376 0.258216 0.917203 F\n0.947337 0.258170 0.396135 F\n0.433017 0.272942 0.656682 F\n0.597302 0.739943 -0.082507 F\n0.111584 0.725121 0.656941 F\n0.597270 0.739832 0.396432 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.306516232455239,
"density_atomic": 0.09711299220842019,
"volume": 123.5674004797016,
"volume_molar": 6.201168991967121,
"formula_full": "Li1 Fe3 O2 F6",
"formula_reduced": "LiFe3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.3511537662499995,
"spacegroup": 10
},
{
"id": "jvasp-43562",
"created_at": "2022-09-04T14:35:57.839783Z",
"updated_at": "2022-09-04T14:35:57.839804Z",
"structure_string": "Li8 Fe4 O8 F4\n1.0\n5.067367 0.000000 0.119139\n-2.533683 4.231604 -0.059570\n-1.473171 0.000000 9.449930\nLi Fe O F\n8 4 8 4\ndirect\n0.183957 0.865372 0.503002 Li\n0.000000 0.500000 -0.000000 Li\n0.074132 0.148264 0.250000 Li\n0.681417 0.865372 -0.003002 Li\n0.500001 0.500000 0.500000 Li\n0.318584 0.134627 0.003002 Li\n0.925869 0.851735 0.750000 Li\n0.816044 0.134627 0.496998 Li\n0.574782 0.149563 0.750000 Fe\n0.750969 0.501934 0.250000 Fe\n0.249032 0.498065 0.750000 Fe\n0.425219 0.850436 0.250000 Fe\n0.054732 0.813361 0.141441 O\n0.304826 0.829161 0.863552 O\n0.524338 0.829161 0.636448 O\n0.241371 0.186638 0.641441 O\n0.758630 0.813361 0.358559 O\n0.475663 0.170839 0.363552 O\n0.695175 0.170839 0.136448 O\n0.945269 0.186638 0.858559 O\n0.355656 0.503387 0.115877 F\n0.147731 0.503387 0.384123 F\n0.644345 0.496612 0.884123 F\n0.852270 0.496612 0.615877 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.9427442450149313,
"density_atomic": 0.11800663099691602,
"volume": 203.3784016817429,
"volume_molar": 5.1032223436303195,
"formula_full": "Li8 Fe4 O8 F4",
"formula_reduced": "Li2FeO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4066287970833335,
"spacegroup": 15
},
{
"id": "jvasp-42739",
"created_at": "2022-09-04T14:35:48.654595Z",
"updated_at": "2022-09-04T14:35:48.654626Z",
"structure_string": "Li3 Fe6 O3 F15\n1.0\n4.397319 0.022074 0.007134\n0.107839 8.373022 -0.060221\n0.068941 4.121099 7.341040\nLi Fe O F\n3 6 3 15\ndirect\n0.513576 0.335859 0.336252 Li\n0.992608 0.002129 0.000812 Li\n0.492960 0.662049 0.666458 Li\n0.516764 0.002339 0.674142 Fe\n0.475779 0.692525 0.323026 Fe\n0.976100 0.329064 0.648730 Fe\n0.480353 0.332217 0.008403 Fe\n0.013411 0.653490 -0.003876 Fe\n0.014800 0.992104 0.351592 Fe\n0.245654 0.457165 0.090059 O\n0.734111 0.201841 0.577009 O\n0.246964 0.796600 0.430007 O\n0.755085 0.888948 0.563306 F\n0.759797 0.553624 0.887572 F\n0.757379 0.881732 0.889643 F\n0.262521 0.778101 0.779607 F\n0.740225 0.562737 0.542092 F\n0.252445 0.103007 0.782166 F\n0.746157 0.570428 0.202997 F\n0.769198 0.900521 0.229080 F\n0.238409 0.102407 0.129559 F\n0.746383 0.212246 0.233809 F\n0.252803 0.451088 0.434111 F\n0.262895 0.433874 0.772879 F\n0.230970 0.774899 0.099583 F\n0.259314 0.103124 0.459629 F\n0.763349 0.225976 0.891243 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.215377763828522,
"density_atomic": 0.09949829302906518,
"volume": 271.3614392571823,
"volume_molar": 6.0525066075664515,
"formula_full": "Li3 Fe6 O3 F15",
"formula_reduced": "LiFe2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.972710656944444,
"spacegroup": 1
},
{
"id": "jvasp-43818",
"created_at": "2022-09-04T14:35:58.227342Z",
"updated_at": "2022-09-04T14:35:58.227366Z",
"structure_string": "Li4 Fe4 O2 F12\n1.0\n5.598820 0.004279 -0.031807\n1.597002 6.814024 -0.033990\n2.349838 2.638171 6.225569\nLi Fe O F\n4 4 2 12\ndirect\n0.677611 0.611649 0.772662 Li\n0.212498 0.868661 0.918059 Li\n0.787503 0.131338 0.081941 Li\n0.322390 0.388350 0.227338 Li\n0.754468 0.130714 0.585691 Fe\n0.684200 0.585417 0.270636 Fe\n0.315800 0.414583 0.729363 Fe\n0.245532 0.869285 0.414309 Fe\n0.517631 0.672697 0.516925 O\n0.482369 0.327303 0.483075 O\n0.139443 0.172279 0.908502 F\n0.333990 0.741041 0.194705 F\n0.094280 0.976636 0.650262 F\n0.287381 0.537940 0.935205 F\n0.712619 0.462060 0.064794 F\n0.970134 0.389095 0.378023 F\n0.666010 0.258959 0.805295 F\n0.860557 0.827721 0.091498 F\n0.575676 0.890179 0.766122 F\n0.424325 0.109821 0.233878 F\n0.905720 0.023363 0.349738 F\n0.029866 0.610905 0.621977 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.561005913538512,
"density_atomic": 0.0923039553653538,
"volume": 238.34298230146786,
"volume_molar": 6.5242499480801275,
"formula_full": "Li4 Fe4 O2 F12",
"formula_reduced": "Li2Fe2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.8573887449999997,
"spacegroup": 2
},
{
"id": "jvasp-44070",
"created_at": "2022-09-04T14:35:55.482989Z",
"updated_at": "2022-09-04T14:35:55.483016Z",
"structure_string": "Li6 Fe2 O4 F4\n1.0\n0.000000 5.019422 -0.022441\n5.901292 0.000000 0.000000\n0.000000 -1.593802 -4.789475\nLi Fe O F\n6 2 4 4\ndirect\n0.500000 0.123997 0.749999 Li\n0.500000 0.634651 0.749999 Li\n0.000000 0.379613 0.749999 Li\n0.500000 0.365349 0.250000 Li\n0.500000 0.876002 0.250000 Li\n0.000000 0.620386 0.250000 Li\n0.000000 0.906509 0.749999 Fe\n0.000000 0.093490 0.250000 Fe\n0.763248 0.874794 0.992159 O\n0.236752 0.874794 0.507839 O\n0.763248 0.125205 0.492160 O\n0.236752 0.125205 0.007840 O\n0.251239 0.619073 0.998439 F\n0.251239 0.380926 0.498440 F\n0.748760 0.619073 0.501559 F\n0.748760 0.380926 0.001560 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.4282073309861394,
"density_atomic": 0.11261224302634883,
"volume": 142.08046629757962,
"volume_molar": 5.347678545565377,
"formula_full": "Li6 Fe2 O4 F4",
"formula_reduced": "Li3Fe(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.167766633125,
"spacegroup": 13
},
{
"id": "jvasp-42267",
"created_at": "2022-09-04T14:36:11.491655Z",
"updated_at": "2022-09-04T14:36:11.491679Z",
"structure_string": "Li4 Fe2 O2 F6\n1.0\n-0.000000 4.162241 4.162241\n-4.233815 4.173405 -0.011166\n0.058800 -4.125706 4.125706\nLi Fe O F\n4 2 2 6\ndirect\n0.378300 0.743399 0.844585 Li\n0.000000 0.499999 0.500000 Li\n0.000000 0.499999 -0.000001 Li\n0.621701 0.256599 0.155414 Li\n0.000000 -0.000000 0.500001 Fe\n0.500000 -0.000000 0.500001 Fe\n0.753284 0.993430 0.297852 O\n0.246717 0.006568 0.702147 O\n0.756400 0.987200 0.751296 F\n0.227432 0.518489 0.262480 F\n0.754079 0.518489 0.262480 F\n0.245921 0.481509 0.737519 F\n0.772568 0.481509 0.737519 F\n0.243601 0.012799 0.248704 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.282850365956287,
"density_atomic": 0.09696394920175286,
"volume": 144.38355817036913,
"volume_molar": 6.210700790940078,
"formula_full": "Li4 Fe2 O2 F6",
"formula_reduced": "Li2FeOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7551042639285719,
"spacegroup": 12
},
{
"id": "jvasp-44329",
"created_at": "2022-09-04T14:36:07.621890Z",
"updated_at": "2022-09-04T14:36:07.621918Z",
"structure_string": "Li8 Fe1 O5 F1\n1.0\n5.306620 0.013110 0.021971\n-2.413052 4.800243 -0.005986\n-2.472803 -1.382820 5.095006\nLi Fe O F\n8 1 5 1\ndirect\n0.247633 0.470530 0.356452 Li\n0.124117 0.230674 0.660021 Li\n0.401831 0.892821 0.634827 Li\n0.731878 0.353930 0.021688 Li\n0.298358 0.679682 0.972616 Li\n0.576649 0.096421 0.345634 Li\n0.902902 0.796068 0.367266 Li\n0.757534 0.517059 0.646473 Li\n0.925258 0.945263 0.964420 Fe\n0.506683 0.597637 0.762548 O\n0.872063 0.105234 0.244673 O\n0.164690 0.764100 0.235687 O\n0.822610 0.221124 0.756682 O\n0.125100 0.895858 0.754689 O\n0.542695 0.433594 0.276325 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.682225501932891,
"density_atomic": 0.11517465990075713,
"volume": 130.23698105924595,
"volume_molar": 5.228702880641553,
"formula_full": "Li8 Fe1 O5 F1",
"formula_reduced": "Li8FeO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.5920942188333334,
"spacegroup": 1
},
{
"id": "jvasp-120752",
"created_at": "2022-09-04T14:38:54.403483Z",
"updated_at": "2022-09-04T14:38:54.403510Z",
"structure_string": "Li16 Fe2 O10 F2\n1.0\n5.544615 0.000000 0.000000\n-2.772308 4.801777 0.000000\n-0.000000 -0.000000 10.827450\nLi Fe O F\n16 2 10 2\ndirect\n0.972850 0.686265 0.776083 Li\n0.713414 0.027149 0.776083 Li\n0.666666 0.333334 0.430298 Li\n0.666666 0.333334 0.918347 Li\n0.388580 0.016335 0.623076 Li\n0.686264 0.713415 0.276083 Li\n0.286585 0.972852 0.276083 Li\n0.627754 0.611420 0.623076 Li\n0.611419 0.983665 0.123076 Li\n0.313735 0.286586 0.776083 Li\n0.333333 0.666667 0.930299 Li\n0.333333 0.666667 0.418347 Li\n0.027149 0.313735 0.276083 Li\n0.983664 0.372245 0.623076 Li\n0.016335 0.627755 0.123076 Li\n0.372245 0.388581 0.123076 Li\n0.000000 0.000000 0.493780 Fe\n0.000000 0.000000 0.993780 Fe\n0.673405 0.998671 0.949777 O\n0.666666 0.333334 0.713694 O\n0.674734 0.673406 0.449777 O\n0.326594 0.001329 0.449777 O\n0.325265 0.326595 0.949777 O\n0.998670 0.325265 0.449777 O\n0.000000 0.000000 0.175900 O\n0.333333 0.666667 0.213694 O\n0.001329 0.674735 0.949777 O\n0.000000 0.000000 0.675900 O\n0.333333 0.666667 0.706878 F\n0.666666 0.333334 0.206878 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.4235949232597354,
"density_atomic": 0.10406907279887072,
"volume": 288.2700805644685,
"volume_molar": 5.786676673519231,
"formula_full": "Li16 Fe2 O10 F2",
"formula_reduced": "Li8FeO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.5877835521666666,
"spacegroup": 173
},
{
"id": "jvasp-43888",
"created_at": "2022-09-04T14:37:15.577099Z",
"updated_at": "2022-09-04T14:37:15.577126Z",
"structure_string": "Li10 Fe2 O2 F10\n1.0\n2.554272 4.374043 -0.012878\n-2.554272 4.374043 0.012878\n-3.555407 0.000000 9.593833\nLi Fe O F\n10 2 2 10\ndirect\n0.170005 0.200524 0.741090 Li\n0.490959 0.508178 0.746984 Li\n0.855771 0.817739 0.745392 Li\n0.327230 0.346288 0.506441 Li\n0.683170 0.665731 0.509177 Li\n0.182261 0.144228 0.245392 Li\n0.799475 0.829994 0.241090 Li\n0.491822 0.509040 0.246984 Li\n0.334269 0.316829 0.009177 Li\n0.653711 0.672769 0.006441 Li\n0.028873 0.993610 0.007812 Fe\n0.006389 0.971127 0.507812 Fe\n0.086931 0.595647 0.620881 O\n0.404353 0.913067 0.120881 O\n0.559924 0.087080 0.369036 F\n0.262591 0.748105 0.867795 F\n0.433414 0.932252 0.627276 F\n0.251894 0.737408 0.367795 F\n0.067747 0.566585 0.127276 F\n0.912919 0.440075 0.869036 F\n0.605114 0.085139 0.879363 F\n0.747838 0.271536 0.628751 F\n0.914861 0.394885 0.379363 F\n0.728464 0.252161 0.128752 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.1281190179031655,
"density_atomic": 0.11216338608848016,
"volume": 213.97356871044875,
"volume_molar": 5.3690789570577255,
"formula_full": "Li10 Fe2 O2 F10",
"formula_reduced": "Li5FeOF5",
"formula_anonymous": "ABC5D5",
"energy_above_hull": 0.6503950343749998,
"spacegroup": 9
},
{
"id": "jvasp-42833",
"created_at": "2022-09-04T14:36:18.547925Z",
"updated_at": "2022-09-04T14:36:18.547951Z",
"structure_string": "Li2 Fe2 O2 F4\n1.0\n1.632156 -2.826978 0.000000\n1.632156 2.826978 -0.000000\n0.000000 0.000000 11.913448\nLi Fe O F\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.250000 Fe\n0.666668 0.333334 0.750000 Fe\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.333334 0.666668 0.416178 F\n0.333334 0.666668 0.083822 F\n0.666668 0.333334 0.583822 F\n0.666668 0.333334 0.916178 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.527802027850348,
"density_atomic": 0.09095957786455228,
"volume": 109.93894469135488,
"volume_molar": 6.620677999371938,
"formula_full": "Li2 Fe2 O2 F4",
"formula_reduced": "LiFeOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.884367913,
"spacegroup": 194
},
{
"id": "jvasp-44330",
"created_at": "2022-09-04T14:36:19.461006Z",
"updated_at": "2022-09-04T14:36:19.461033Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n3.963512 3.589931 0.000000\n-3.963512 3.589931 0.000000\n0.000000 0.000000 6.349226\nLi Fe O F\n8 2 6 2\ndirect\n0.168469 0.841555 0.498027 Li\n0.158445 0.831531 0.998028 Li\n0.580143 0.885005 0.238155 Li\n0.114995 0.419856 0.738155 Li\n0.419856 0.114995 0.738155 Li\n0.885005 0.580143 0.238155 Li\n0.831531 0.158445 0.998028 Li\n0.841555 0.168469 0.498027 Li\n0.645392 0.645392 0.777189 Fe\n0.354607 0.354607 0.277189 Fe\n0.261746 0.678329 0.250068 O\n0.321670 0.738254 0.750068 O\n0.798864 0.798864 0.011695 O\n0.201136 0.201136 0.511695 O\n0.738254 0.321670 0.750068 O\n0.678329 0.261746 0.250068 O\n0.204170 0.204170 0.988619 F\n0.795829 0.795829 0.488619 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.7682363210024548,
"density_atomic": 0.099622043205655,
"volume": 180.6829033092772,
"volume_molar": 6.044988203632984,
"formula_full": "Li8 Fe2 O6 F2",
"formula_reduced": "Li4FeO3F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.5151795869444442,
"spacegroup": 36
}
]
}