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=4198",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4196",
"results": [
{
"id": "jvasp-42757",
"created_at": "2022-09-04T14:35:59.799098Z",
"updated_at": "2022-09-04T14:35:59.799121Z",
"structure_string": "Li5 Fe7 O3 F13\n1.0\n6.055639 0.115214 0.018189\n-2.926141 5.237106 -0.003743\n-2.979342 -1.790494 9.711324\nLi Fe O F\n5 7 3 13\ndirect\n0.474777 0.731807 0.258415 Li\n0.870398 0.179251 0.566153 Li\n0.095355 0.806726 0.436507 Li\n0.030174 0.768166 0.745514 Li\n0.123759 0.319442 0.930186 Li\n0.932414 0.697367 0.075173 Fe\n0.515439 0.020403 0.013363 Fe\n0.958704 0.247887 0.245402 Fe\n0.512934 0.240885 0.241746 Fe\n0.482627 0.491867 0.521723 Fe\n0.491277 0.281994 0.732806 Fe\n0.487649 0.711007 0.731259 Fe\n0.229603 0.368375 0.621029 O\n0.299059 0.893566 0.133325 O\n0.742522 0.379154 0.121583 O\n0.732487 0.093068 0.374156 F\n0.750427 0.871082 0.133263 F\n0.235248 0.610601 0.372216 F\n0.237850 0.367972 0.133575 F\n0.238533 0.134578 0.368526 F\n0.700459 0.592207 0.375056 F\n0.770132 0.868799 0.631448 F\n0.786811 0.647641 0.866934 F\n0.772481 0.397811 0.632824 F\n0.264968 0.126136 0.868896 F\n0.265244 0.887102 0.630387 F\n0.722699 0.111057 0.865720 F\n0.275981 0.654061 0.872816 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.84012898993408,
"density_atomic": 0.08985909297378779,
"volume": 311.59896092171437,
"volume_molar": 6.701760011929656,
"formula_full": "Li5 Fe7 O3 F13",
"formula_reduced": "Li5Fe7O3F13",
"formula_anonymous": "A3B5C7D13",
"energy_above_hull": 1.426704381160714,
"spacegroup": 1
},
{
"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-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-42642",
"created_at": "2022-09-04T14:36:00.562702Z",
"updated_at": "2022-09-04T14:36:00.562726Z",
"structure_string": "Li4 Fe4 O4 F8\n1.0\n4.734953 4.304569 0.120532\n-4.734953 4.304569 -0.120532\n-0.881063 0.000000 4.915511\nLi Fe O F\n4 4 4 8\ndirect\n0.226510 0.598540 0.691456 Li\n0.401460 0.773490 0.191457 Li\n0.598540 0.226510 0.808543 Li\n0.773490 0.401460 0.308543 Li\n0.070828 0.070827 0.750000 Fe\n0.752268 0.752268 0.750000 Fe\n0.247732 0.247732 0.250000 Fe\n0.929173 0.929172 0.250000 Fe\n0.984457 0.190780 0.385182 O\n0.809221 0.015543 0.885181 O\n0.190780 0.984457 0.114818 O\n0.015543 0.809220 0.614818 O\n0.472370 0.715804 0.864590 F\n0.128010 0.350865 0.893176 F\n0.284196 0.527630 0.364590 F\n0.649135 0.871991 0.393176 F\n0.350866 0.128009 0.606823 F\n0.715804 0.472369 0.635410 F\n0.871991 0.649135 0.106823 F\n0.527631 0.284196 0.135410 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.853582742578108,
"density_atomic": 0.09935939056779114,
"volume": 201.289479391023,
"volume_molar": 6.060967891999299,
"formula_full": "Li4 Fe4 O4 F8",
"formula_reduced": "LiFeOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.8888999129999998,
"spacegroup": 15
},
{
"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-42686",
"created_at": "2022-09-04T14:36:49.421057Z",
"updated_at": "2022-09-04T14:36:49.421091Z",
"structure_string": "Li8 Fe4 O8 F4\n1.0\n4.951684 -0.000000 -0.012173\n-2.475842 4.297406 0.006086\n-1.613461 0.000000 9.492158\nLi Fe O F\n8 4 8 4\ndirect\n0.165742 0.821862 0.498511 Li\n0.006780 0.493092 0.998166 Li\n0.089732 0.179462 0.250000 Li\n0.656122 0.821862 0.001490 Li\n0.486312 0.493092 0.501834 Li\n0.336502 0.190653 0.004067 Li\n0.742677 0.485354 0.250000 Li\n0.854150 0.190653 0.495934 Li\n0.583775 0.167547 0.750000 Fe\n0.917829 0.835657 0.750001 Fe\n0.250994 0.501986 0.750000 Fe\n0.387825 0.775650 0.250001 Fe\n0.286480 0.835544 0.858295 O\n0.129630 0.508156 0.375414 O\n0.214982 0.167843 0.641053 O\n0.549064 0.835544 0.641707 O\n0.378526 0.508156 0.124587 O\n0.621569 0.501707 0.858594 O\n0.880139 0.501707 0.641408 O\n0.952860 0.167843 0.858947 O\n0.802699 0.842078 0.378988 F\n0.039380 0.842078 0.121013 F\n0.464221 0.166244 0.376374 F\n0.702022 0.166244 0.123626 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.9715559550348467,
"density_atomic": 0.11886896763896658,
"volume": 201.90299013022243,
"volume_molar": 5.066200943454542,
"formula_full": "Li8 Fe4 O8 F4",
"formula_reduced": "Li2FeO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.395287130416667,
"spacegroup": 5
},
{
"id": "jvasp-119370",
"created_at": "2022-09-04T14:38:50.849778Z",
"updated_at": "2022-09-04T14:38:50.849795Z",
"structure_string": "Li6 Fe1 O5 F1\n1.0\n4.851018 0.072286 2.462453\n1.641138 4.595434 2.560919\n0.062437 0.023195 5.507949\nLi Fe O F\n6 1 5 1\ndirect\n0.697950 0.468582 0.057573 Li\n0.510341 0.084408 0.747200 Li\n0.915229 0.306630 0.509301 Li\n0.076841 0.707923 0.473258 Li\n0.516932 0.916965 0.268979 Li\n0.261191 0.487367 0.926265 Li\n0.034169 0.987248 0.961490 Fe\n0.356705 0.807757 0.089567 O\n0.920421 0.666598 0.209074 O\n0.208105 0.888689 0.646965 O\n0.102192 0.340355 0.789372 O\n0.657216 0.210940 0.917975 O\n0.777713 0.126905 0.385410 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6910624318006096,
"density_atomic": 0.1072224003793413,
"volume": 121.24332186191879,
"volume_molar": 5.616495003557386,
"formula_full": "Li6 Fe1 O5 F1",
"formula_reduced": "Li6FeO5F",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.6835448678846154,
"spacegroup": 1
},
{
"id": "jvasp-119725",
"created_at": "2022-09-04T14:38:50.465405Z",
"updated_at": "2022-09-04T14:38:50.465431Z",
"structure_string": "Li7 Fe1 O5 F1\n1.0\n4.761097 -0.015977 -2.463770\n-2.759799 4.663778 -0.045167\n0.071315 0.050203 5.659814\nLi Fe O F\n7 1 5 1\ndirect\n0.525223 0.117854 0.177102 Li\n0.896726 0.768268 0.387252 Li\n0.737243 0.486312 0.686735 Li\n0.195802 0.470001 0.319421 Li\n0.129697 0.222806 0.658560 Li\n0.441182 0.931738 0.643073 Li\n0.308271 0.639868 0.970251 Li\n0.943125 0.952849 0.990227 Fe\n0.875709 0.074566 0.252772 O\n0.890199 0.231184 0.817358 O\n0.494785 0.614743 0.752452 O\n0.177795 0.809074 0.246406 O\n0.133554 0.896918 0.789890 O\n0.530382 0.441705 0.293659 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6683123358993717,
"density_atomic": 0.1105875271654498,
"volume": 126.59655531545276,
"volume_molar": 5.445587684577019,
"formula_full": "Li7 Fe1 O5 F1",
"formula_reduced": "Li7FeO5F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 1.63263094875,
"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-46714",
"created_at": "2022-09-04T14:38:34.670242Z",
"updated_at": "2022-09-04T14:38:34.670272Z",
"structure_string": "Li1 Fe2 P2 O8\n1.0\n4.794883 -0.008704 0.018534\n1.859508 4.419678 0.011949\n0.079770 0.062071 6.116698\nLi Fe P O\n1 2 2 8\ndirect\n0.676887 0.170599 0.264174 Li\n0.005483 0.499237 0.002888 Fe\n0.007014 0.500800 0.524701 Fe\n0.652637 0.146400 0.771468 P\n0.349205 0.842967 0.237768 P\n0.763283 0.257040 0.973379 O\n0.297494 0.269909 0.774732 O\n0.776143 0.791259 0.774732 O\n0.755623 0.249391 0.556456 O\n0.245984 0.739753 0.449563 O\n0.236669 0.202214 0.239302 O\n0.708459 0.730416 0.239305 O\n0.243167 0.736928 0.035201 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.950185057370561,
"density_atomic": 0.10021962073245588,
"volume": 129.71511870619145,
"volume_molar": 6.008943873452261,
"formula_full": "Li1 Fe2 P2 O8",
"formula_reduced": "LiFe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.9501461538461538,
"spacegroup": 8
},
{
"id": "jvasp-119545",
"created_at": "2022-09-04T14:38:35.298278Z",
"updated_at": "2022-09-04T14:38:35.298304Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.499597 0.019473 0.630674\n-1.258904 5.808342 -1.355900\n-0.183575 0.157725 9.293835\nLi Fe P O\n4 4 4 16\ndirect\n0.320095 0.333939 0.030771 Li\n0.679924 0.666064 0.969225 Li\n0.845556 0.516875 0.272207 Li\n0.154442 0.483103 0.727794 Li\n0.221782 -0.001347 0.743852 Fe\n0.783630 0.851749 0.661987 Fe\n0.778218 0.001337 0.256152 Fe\n0.216372 0.148262 0.338005 Fe\n0.662804 0.297972 0.567694 P\n0.337188 0.702038 0.432305 P\n0.805604 0.189487 0.948782 P\n0.194404 0.810507 0.051219 P\n0.812887 0.540757 0.629524 O\n0.187101 0.459257 0.370467 O\n0.395226 0.253780 0.637717 O\n0.604771 0.746218 0.362287 O\n0.819991 0.133564 0.596926 O\n0.180015 0.866457 0.403074 O\n0.696755 0.934159 0.878206 O\n0.641488 0.343737 0.921201 O\n0.162158 0.785201 0.883156 O\n0.837835 0.214784 0.116845 O\n0.074596 0.253647 0.875308 O\n0.925416 0.746341 0.124694 O\n0.640621 0.263080 0.396984 O\n0.358538 0.656270 0.078800 O\n0.303245 0.065841 0.121790 O\n0.359367 0.736918 0.603015 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.506457972277581,
"density_atomic": 0.09369748740958282,
"volume": 298.83405386958464,
"volume_molar": 6.427216915300219,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4361364285714284,
"spacegroup": 2
},
{
"id": "jvasp-44725",
"created_at": "2022-09-04T14:38:07.477471Z",
"updated_at": "2022-09-04T14:38:07.477500Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.945104 0.037206 -0.052205\n2.391213 4.328783 -0.061798\n2.298611 1.386172 7.994706\nLi Fe P O\n2 2 2 8\ndirect\n0.440663 0.571101 0.494529 Li\n0.073098 0.938616 0.994568 Li\n0.810915 0.684060 0.750714 Fe\n0.186031 0.308916 0.250687 Fe\n0.433484 0.317171 0.873802 P\n0.819134 0.931474 0.373803 P\n0.765401 0.036105 0.849274 O\n0.467102 0.594666 0.904799 O\n0.278831 0.414554 0.716443 O\n0.734161 0.710336 0.524243 O\n0.538085 0.263409 0.349256 O\n0.096701 0.965054 0.404741 O\n0.916401 0.776797 0.216467 O\n0.212281 0.232211 0.024205 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.060478453751701,
"density_atomic": 0.08178028758788695,
"volume": 171.1903982356946,
"volume_molar": 7.363804820970061,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438319285714286,
"spacegroup": 9
}
]
}