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=4195",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4193",
"results": [
{
"id": "jvasp-43735",
"created_at": "2022-09-04T14:38:16.215622Z",
"updated_at": "2022-09-04T14:38:16.215642Z",
"structure_string": "Li8 Fe2 O6 F2\n1.0\n5.105455 0.054702 0.038524\n1.823655 4.881993 -0.029359\n1.067228 2.320975 7.461546\nLi Fe O F\n8 2 6 2\ndirect\n0.214105 0.829355 0.273504 Li\n0.751956 0.958056 0.052840 Li\n0.747829 0.485397 0.922035 Li\n0.764622 0.744558 0.492506 Li\n0.235381 0.255440 0.507494 Li\n0.252174 0.514601 0.077964 Li\n0.248047 0.041942 0.947159 Li\n0.785898 0.170643 0.726496 Li\n0.780486 0.404548 0.262586 Fe\n0.219517 0.595450 0.737414 Fe\n0.976504 0.443111 0.685242 O\n0.485104 0.301833 0.889864 O\n0.033350 0.831490 0.876716 O\n0.966653 0.168508 0.123284 O\n0.514899 0.698165 0.110136 O\n0.023499 0.556887 0.314757 O\n0.346866 0.836288 0.497428 F\n0.653137 0.163710 0.502572 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.695744513786806,
"density_atomic": 0.09701324066386979,
"volume": 185.54168355602266,
"volume_molar": 6.207545195676365,
"formula_full": "Li8 Fe2 O6 F2",
"formula_reduced": "Li4FeO3F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.5175406980555552,
"spacegroup": 2
},
{
"id": "jvasp-42376",
"created_at": "2022-09-04T14:37:17.302234Z",
"updated_at": "2022-09-04T14:37:17.302259Z",
"structure_string": "Li1 Fe6 O7 F5\n1.0\n5.938995 -0.007109 0.121013\n-0.938429 5.873752 0.067490\n-0.944285 -1.151017 5.582710\nLi Fe O F\n1 6 7 5\ndirect\n0.997713 0.993332 -0.001261 Li\n0.342196 0.600890 0.145278 Fe\n0.867199 0.663782 0.382078 Fe\n0.605941 0.143100 0.332490 Fe\n0.406071 0.864913 0.661531 Fe\n0.144998 0.343104 0.606284 Fe\n0.666106 0.421849 0.861000 Fe\n0.419810 0.605012 0.818394 O\n0.415377 0.185206 0.597073 O\n0.818213 0.434558 0.597859 O\n0.606643 0.811211 0.412792 O\n0.553076 0.376467 0.155481 O\n0.872710 0.663561 0.072814 O\n0.170167 0.584509 0.401932 O\n0.689056 0.045175 0.894183 F\n0.307897 0.938200 0.119817 F\n0.948925 0.118414 0.320634 F\n0.060785 0.892553 0.682152 F\n0.107117 0.314156 0.939465 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.651792949816936,
"density_atomic": 0.09695126316214658,
"volume": 195.97475453438253,
"volume_molar": 6.211513459013157,
"formula_full": "Li1 Fe6 O7 F5",
"formula_reduced": "LiFe6O7F5",
"formula_anonymous": "AB5C6D7",
"energy_above_hull": 2.3934652059210526,
"spacegroup": 1
},
{
"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-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-42524",
"created_at": "2022-09-04T14:37:50.994418Z",
"updated_at": "2022-09-04T14:37:50.994435Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n2.598768 4.300299 -0.018663\n-2.598768 4.300299 0.018663\n-2.024105 0.000000 4.754756\nLi Fe O F\n4 2 4 2\ndirect\n0.253060 0.245517 0.746103 Li\n0.564416 0.598480 0.770447 Li\n0.401519 0.435585 0.270447 Li\n0.754483 0.746941 0.246103 Li\n0.931157 0.865572 0.746524 Fe\n0.134428 0.068844 0.246524 Fe\n0.152082 0.706455 0.493969 O\n0.293546 0.847917 0.993969 O\n0.004421 0.484852 0.006258 O\n0.515149 -0.004422 0.506259 O\n0.663359 0.167612 0.986700 F\n0.832388 0.336642 0.486700 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.7842410247507168,
"density_atomic": 0.11326261772514691,
"volume": 105.94846067499748,
"volume_molar": 5.3169711957513295,
"formula_full": "Li4 Fe2 O4 F2",
"formula_reduced": "Li2FeO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4044637970833334,
"spacegroup": 9
},
{
"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-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-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-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-42685",
"created_at": "2022-09-04T14:37:29.910703Z",
"updated_at": "2022-09-04T14:37:29.910719Z",
"structure_string": "Li8 Fe4 O4 F12\n1.0\n5.904447 -0.000000 -0.000000\n0.000000 5.904447 -0.000000\n0.000000 -0.000000 8.384726\nLi Fe O F\n8 4 4 12\ndirect\n0.241300 0.254095 0.374982 Li\n0.254095 0.758701 0.124982 Li\n0.263148 0.496236 0.744484 Li\n0.503764 0.263148 0.994484 Li\n0.496236 0.736853 0.494484 Li\n0.736853 0.503764 0.244484 Li\n0.745905 0.241300 0.624982 Li\n0.758701 0.745905 0.874982 Li\n0.018263 0.253867 0.017617 Fe\n0.981737 0.746134 0.517617 Fe\n0.253867 0.981737 0.767618 Fe\n0.746134 0.018263 0.267617 Fe\n0.975893 0.241116 0.237240 O\n0.758885 0.975893 0.487240 O\n0.241116 0.024108 0.987241 O\n0.024108 0.758885 0.737241 O\n0.014330 0.252795 0.759177 F\n0.252795 0.985671 0.509177 F\n0.252534 0.495276 0.991531 F\n0.241951 0.520775 0.499970 F\n0.479225 0.241951 0.749970 F\n0.495276 0.747467 0.741531 F\n0.504725 0.252534 0.241531 F\n0.520775 0.758049 0.249970 F\n0.747467 0.504725 0.491531 F\n0.758049 0.479225 0.999970 F\n0.747206 0.014330 0.009177 F\n0.985671 0.747206 0.259177 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.2430339225663953,
"density_atomic": 0.09578791034409163,
"volume": 292.3124630176995,
"volume_molar": 6.286952850696003,
"formula_full": "Li8 Fe4 O4 F12",
"formula_reduced": "Li2FeOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7526999782142862,
"spacegroup": 76
},
{
"id": "jvasp-42258",
"created_at": "2022-09-04T14:37:55.980945Z",
"updated_at": "2022-09-04T14:37:55.980975Z",
"structure_string": "Li2 Fe4 O3 F8\n1.0\n4.977268 -0.003372 -0.013007\n-0.764735 6.390240 -0.104134\n-1.835603 -2.433246 6.001510\nLi Fe O F\n2 4 3 8\ndirect\n0.669928 0.195521 0.400586 Li\n0.330072 0.804478 0.599414 Li\n0.908267 0.248514 0.969670 Fe\n0.345489 0.374857 0.780071 Fe\n0.654511 0.625143 0.219929 Fe\n0.091734 0.751485 0.030330 Fe\n0.728997 0.530327 0.943602 O\n0.271003 0.469673 0.056398 O\n0.000000 0.000000 0.000000 O\n0.050459 0.796701 0.344116 F\n0.473961 0.113800 0.809014 F\n0.949541 0.203299 0.655884 F\n0.379277 0.285961 0.500509 F\n0.789833 0.368382 0.250616 F\n0.210167 0.631617 0.749384 F\n0.620723 0.714038 0.499492 F\n0.526039 0.886200 0.190986 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.8329091539382976,
"density_atomic": 0.08974310441448527,
"volume": 189.4295958548996,
"volume_molar": 6.710421707930106,
"formula_full": "Li2 Fe4 O3 F8",
"formula_reduced": "Li2Fe4O3F8",
"formula_anonymous": "A2B3C4D8",
"energy_above_hull": 1.4372091035294114,
"spacegroup": 2
}
]
}