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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=412",
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"results": [
{
"id": "jvasp-47439",
"created_at": "2022-09-04T14:38:10.741945Z",
"updated_at": "2022-09-04T14:38:10.741974Z",
"structure_string": "Li3 Mn3 O5 F3\n1.0\n5.719584 0.015963 0.007361\n-2.630843 5.180621 0.009279\n-2.858246 -1.784052 4.829132\nLi Mn O F\n3 3 5 3\ndirect\n0.007562 0.027923 0.991046 Li\n0.242073 0.619379 0.871744 Li\n0.499196 0.226704 0.754185 Li\n0.750889 0.130749 0.383031 Mn\n0.749243 0.612296 0.389238 Mn\n0.248296 0.625854 0.373981 Mn\n0.755022 0.383740 0.595900 O\n0.301630 0.425407 0.161253 O\n0.715553 0.871721 0.576715 O\n0.783331 0.376595 0.176305 O\n0.197240 0.827517 0.586919 O\n0.264609 0.380514 0.647267 F\n0.239455 0.870135 0.100070 F\n0.745890 0.871462 0.142343 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.732522101447344,
"density_atomic": 0.09753881169274345,
"volume": 143.5326077592716,
"volume_molar": 6.174096911258584,
"formula_full": "Li3 Mn3 O5 F3",
"formula_reduced": "Li3Mn3O5F3",
"formula_anonymous": "A3B3C3D5",
"energy_above_hull": 2.1685007194027093,
"spacegroup": 1
},
{
"id": "jvasp-47298",
"created_at": "2022-09-04T14:38:09.722807Z",
"updated_at": "2022-09-04T14:38:09.722824Z",
"structure_string": "Li4 Mn5 O9 F1\n1.0\n5.105830 -0.022510 -0.007446\n-1.166818 5.209832 0.021507\n-1.787516 -2.535110 7.123743\nLi Mn O F\n4 5 9 1\ndirect\n0.893720 0.811147 0.306912 Li\n0.495091 0.962192 0.477413 Li\n0.112138 0.183449 0.689435 Li\n0.717544 0.414103 0.919124 Li\n0.202145 0.402580 0.391715 Mn\n0.008779 0.984451 0.006495 Mn\n0.601331 0.183320 0.200778 Mn\n0.792552 0.592628 0.597368 Mn\n0.389041 0.790481 0.805658 Mn\n0.436033 0.459192 0.651499 O\n0.862886 0.213016 0.436881 O\n0.278535 0.030190 0.267151 O\n0.664225 0.798599 0.026917 O\n0.943215 0.338061 0.145079 O\n0.137668 0.800304 0.571265 O\n0.555958 0.598505 0.371142 O\n0.001608 0.633933 0.842961 O\n0.356271 0.138939 0.952565 O\n0.750129 0.056445 0.737407 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.078678330252264,
"density_atomic": 0.10026595868608794,
"volume": 189.4960188780031,
"volume_molar": 6.006166837594484,
"formula_full": "Li4 Mn5 O9 F1",
"formula_reduced": "Li4Mn5O9F",
"formula_anonymous": "AB4C5D9",
"energy_above_hull": 2.915684631020871,
"spacegroup": 1
},
{
"id": "jvasp-47011",
"created_at": "2022-09-04T14:38:09.523553Z",
"updated_at": "2022-09-04T14:38:09.523576Z",
"structure_string": "Li4 Mn1 O1 F4\n1.0\n-0.000000 0.000000 3.989027\n3.393524 -3.393523 1.994514\n3.393523 3.393524 -1.994514\nLi Mn O F\n4 1 1 4\ndirect\n0.586260 0.203968 0.376488 Li\n0.209772 0.376488 0.796031 Li\n0.790229 0.623511 0.203968 Li\n0.413740 0.796031 0.623511 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 O\n0.106340 0.207680 0.420357 F\n0.314020 0.579642 0.207680 F\n0.685981 0.420357 0.792319 F\n0.893661 0.792319 0.579642 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.157410309546821,
"density_atomic": 0.10884320121697852,
"volume": 91.87528378612309,
"volume_molar": 5.53285891324979,
"formula_full": "Li4 Mn1 O1 F4",
"formula_reduced": "Li4MnOF4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 0.7885741871379309,
"spacegroup": 87
},
{
"id": "jvasp-46777",
"created_at": "2022-09-04T14:38:08.906937Z",
"updated_at": "2022-09-04T14:38:08.906947Z",
"structure_string": "Li8 Mn2 O4 F4\n1.0\n0.000000 5.974332 0.059100\n4.932059 0.000000 0.000000\n0.000000 -1.122285 -6.010755\nLi Mn O F\n8 2 4 4\ndirect\n0.166667 0.475999 0.920647 Li\n0.391894 0.992187 0.795473 Li\n0.608107 0.492187 0.704528 Li\n0.833335 0.975999 0.579355 Li\n0.166666 0.024001 0.420646 Li\n0.391894 0.507814 0.295473 Li\n0.608106 0.007814 0.204527 Li\n0.833334 0.524001 0.079354 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.880372 0.691394 0.803861 O\n0.119629 0.191394 0.696140 O\n0.880371 0.808606 0.303861 O\n0.119629 0.308606 0.196140 O\n0.613972 0.241359 0.951178 F\n0.386029 0.741359 0.548823 F\n0.613972 0.258641 0.451177 F\n0.386029 0.758641 0.048823 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.868584855525786,
"density_atomic": 0.10181898324308727,
"volume": 176.78432279200806,
"volume_molar": 5.914555977859715,
"formula_full": "Li8 Mn2 O4 F4",
"formula_reduced": "Li4Mn(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.26246497848659,
"spacegroup": 14
},
{
"id": "jvasp-119334",
"created_at": "2022-09-04T14:38:50.830319Z",
"updated_at": "2022-09-04T14:38:50.830338Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n5.058270 -0.069523 -0.943272\n1.219624 4.909512 0.943318\n-0.021264 0.027361 10.880660\nLi Mn O F\n4 4 2 12\ndirect\n0.432597 0.910907 0.709393 Li\n0.089095 0.567406 0.209393 Li\n0.109479 0.484754 0.801882 Li\n0.515247 0.890518 0.301884 Li\n0.085655 0.587844 0.499582 Mn\n0.678542 0.420159 0.940283 Mn\n0.412154 0.914347 0.999583 Mn\n0.579838 0.321457 0.440284 Mn\n0.345453 0.648014 0.918559 O\n0.351986 0.654548 0.418559 O\n0.858824 0.554698 0.341402 F\n0.356518 0.251620 0.293848 F\n0.018835 0.191847 0.946389 F\n0.356915 0.180780 0.562844 F\n0.445301 0.141175 0.841402 F\n0.219165 0.666360 0.657734 F\n0.333639 0.780836 0.157734 F\n0.748377 0.643480 0.793847 F\n0.839419 0.404413 0.578086 F\n0.819221 0.643089 0.062844 F\n0.595587 0.160586 0.078086 F\n0.808152 -0.018836 0.446389 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.111149685494266,
"density_atomic": 0.08121981984687805,
"volume": 270.8698448417654,
"volume_molar": 7.414619696711234,
"formula_full": "Li4 Mn4 O2 F12",
"formula_reduced": "Li2Mn2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0157990616144197,
"spacegroup": 9
},
{
"id": "jvasp-119722",
"created_at": "2022-09-04T14:38:52.514283Z",
"updated_at": "2022-09-04T14:38:52.514309Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.755915 -0.019910 -0.000069\n0.019749 6.058969 -0.000005\n0.000104 0.000006 8.648422\nLi Mn O F\n4 8 12 4\ndirect\n0.969146 -0.000031 0.024198 Li\n0.469146 -0.000031 0.225802 Li\n0.530855 0.500032 0.524198 Li\n0.030854 0.500032 0.725802 Li\n0.500000 0.750001 0.875001 Mn\n0.500000 0.250000 0.875000 Mn\n0.251430 0.000021 0.615482 Mn\n0.748570 0.499980 0.134518 Mn\n0.000000 0.250000 0.375000 Mn\n0.248569 0.499980 0.115483 Mn\n0.751431 0.000021 0.634517 Mn\n0.000000 0.750000 0.375000 Mn\n0.998516 0.214104 0.599649 O\n0.998450 0.785933 0.599647 O\n0.498450 0.785933 0.650353 O\n0.498515 0.214105 0.650351 O\n0.001485 0.285896 0.150352 O\n0.501551 0.714068 0.099647 O\n0.200525 0.000037 0.364506 O\n0.501485 0.285896 0.099649 O\n0.700525 0.000038 0.885493 O\n0.299474 0.499964 0.864506 O\n0.799474 0.499963 0.385494 O\n0.001550 0.714068 0.150354 O\n0.214754 -0.000055 0.881667 F\n0.714754 -0.000056 0.368332 F\n0.285246 0.500056 0.381668 F\n0.785246 0.500057 0.868332 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.047921464664339,
"density_atomic": 0.09283316547736263,
"volume": 301.6163442883761,
"volume_molar": 6.487057431504368,
"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3467907521798037,
"spacegroup": 62
},
{
"id": "jvasp-116880",
"created_at": "2022-09-04T14:38:34.582193Z",
"updated_at": "2022-09-04T14:38:34.582222Z",
"structure_string": "Li14 Mn2 O6 F6\n1.0\n5.244136 -0.050750 1.243316\n-3.518997 5.417175 0.627611\n-0.079235 -0.053192 10.133871\nLi Mn O F\n14 2 6 6\ndirect\n0.095737 0.099271 0.222921 Li\n0.963207 0.906089 0.730096 Li\n0.882478 0.390250 0.276351 Li\n0.517172 0.008722 0.617689 Li\n0.477796 0.500564 0.891019 Li\n0.758698 0.805124 0.534134 Li\n0.727536 0.248573 0.055494 Li\n0.697109 0.115526 0.815526 Li\n0.202375 0.684252 0.957068 Li\n0.273294 0.230907 0.444695 Li\n0.542326 0.541290 0.123477 Li\n0.447720 0.945858 0.394230 Li\n0.093079 0.612315 0.749414 Li\n0.297232 0.383402 0.671478 Li\n0.102422 0.064630 0.950176 Mn\n0.985641 0.448793 0.516183 Mn\n0.934119 0.129765 0.624061 O\n0.622394 0.269312 0.465297 O\n0.061492 0.354115 0.874738 O\n0.392060 0.254303 0.042925 O\n0.255026 0.924680 0.809271 O\n0.347506 0.690918 0.559987 O\n0.726676 0.585761 0.707896 F\n0.094561 0.932960 0.380745 F\n0.245920 0.421365 0.295119 F\n0.909756 0.582569 0.121454 F\n0.608119 0.790264 0.953443 F\n0.738581 0.078438 0.215112 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.4127343135833947,
"density_atomic": 0.09755374391242652,
"volume": 287.0212754226578,
"volume_molar": 6.173151863249907,
"formula_full": "Li14 Mn2 O6 F6",
"formula_reduced": "Li7Mn(OF)3",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 1.2341920420628076,
"spacegroup": 1
},
{
"id": "jvasp-48916",
"created_at": "2022-09-04T14:36:13.546311Z",
"updated_at": "2022-09-04T14:36:13.546335Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n4.880878 0.000000 0.000000\n0.000000 5.159528 0.000000\n0.000000 0.000000 8.424193\nLi Mn O F\n4 4 4 8\ndirect\n0.000000 0.000000 0.786097 Li\n0.000000 0.500000 0.180150 Li\n0.500000 0.500000 0.286097 Li\n0.500000 0.000000 0.680150 Li\n0.000000 0.000000 0.428501 Mn\n0.000000 0.500000 0.593942 Mn\n0.500000 0.500000 0.928501 Mn\n0.500000 0.000000 0.093942 Mn\n0.183021 0.817149 0.586129 O\n0.316979 0.317148 0.086129 O\n0.683021 0.682852 0.086129 O\n0.816979 0.182852 0.586129 O\n0.764294 0.650278 0.413913 F\n0.772727 0.167806 0.255612 F\n0.727273 0.667806 0.755612 F\n0.735707 0.150278 0.913912 F\n0.264294 0.849723 0.913912 F\n0.272727 0.332194 0.755612 F\n0.227273 0.832194 0.255612 F\n0.235707 0.349723 0.413913 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.627968804563651,
"density_atomic": 0.09427439663583541,
"volume": 212.1466772919938,
"volume_molar": 6.387885762093412,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.012626261275862,
"spacegroup": 34
},
{
"id": "jvasp-48807",
"created_at": "2022-09-04T14:36:13.309483Z",
"updated_at": "2022-09-04T14:36:13.309512Z",
"structure_string": "Li2 Mn4 O2 F6\n1.0\n0.000000 6.217567 0.000000\n-5.384633 3.108783 0.000101\n0.000020 0.000000 5.185106\nLi Mn O F\n2 4 2 6\ndirect\n0.666658 0.666684 0.021587 Li\n0.333342 0.333316 0.978413 Li\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666669 0.666660 0.664338 O\n0.333331 0.333339 0.335663 O\n0.348402 0.825800 0.210982 F\n0.825798 0.825800 0.210982 F\n0.174222 0.651554 0.789058 F\n0.825778 0.348445 0.210942 F\n0.651599 0.174200 0.789018 F\n0.174202 0.174200 0.789018 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6313478260959244,
"density_atomic": 0.0806480394392868,
"volume": 173.5938046025215,
"volume_molar": 7.4671880455737165,
"formula_full": "Li2 Mn4 O2 F6",
"formula_reduced": "LiMn2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.4932841186083743,
"spacegroup": 164
},
{
"id": "jvasp-48978",
"created_at": "2022-09-04T14:35:52.407740Z",
"updated_at": "2022-09-04T14:35:52.407763Z",
"structure_string": "Li2 Mn4 O6 F2\n1.0\n-4.281062 4.281062 -0.000000\n4.128211 -0.152851 4.128211\n4.128211 4.128211 -0.152851\nLi Mn O F\n2 4 6 2\ndirect\n0.105235 0.210469 0.105235 Li\n0.894765 0.789531 0.894765 Li\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.739493 0.044281 0.739493 O\n0.739493 0.478987 0.304787 O\n0.304787 0.044281 0.739493 O\n0.695212 0.955720 0.260507 O\n0.260507 0.955720 0.260507 O\n0.260507 0.521013 0.695212 O\n0.764523 0.529046 0.764523 F\n0.235477 0.470955 0.235477 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.110337445984306,
"density_atomic": 0.09426458482995843,
"volume": 148.5181314409251,
"volume_molar": 6.388550663924518,
"formula_full": "Li2 Mn4 O6 F2",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.346270752179803,
"spacegroup": 166
},
{
"id": "jvasp-48169",
"created_at": "2022-09-04T14:35:52.713774Z",
"updated_at": "2022-09-04T14:35:52.713795Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n4.648536 -0.012560 0.028702\n0.017971 6.592391 -0.009206\n0.073358 0.008885 6.560810\nLi Mn O F\n10 2 6 2\ndirect\n0.965431 0.307699 0.249279 Li\n0.985069 0.725394 0.675283 Li\n0.957787 0.006901 0.473796 Li\n0.467631 0.045402 0.470648 Li\n0.514926 0.225380 0.774727 Li\n0.479204 0.801559 0.748498 Li\n0.534557 0.807694 0.200721 Li\n0.542218 0.506902 0.976194 Li\n0.032374 0.545412 0.979355 Li\n0.020793 0.301565 0.701495 Li\n0.965819 0.012154 0.965540 Mn\n0.534185 0.512153 0.484460 Mn\n0.812877 0.292837 0.973091 O\n0.745099 0.255215 0.494042 O\n0.754919 0.755222 0.955953 O\n0.281668 0.523023 0.741371 O\n0.687117 0.792829 0.476906 O\n0.218330 0.023017 0.708633 O\n0.275944 0.529816 0.204509 F\n0.224066 0.029811 0.245489 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.5875580997389567,
"density_atomic": 0.09948081016368845,
"volume": 201.04379897079096,
"volume_molar": 6.053570281636231,
"formula_full": "Li10 Mn2 O6 F2",
"formula_reduced": "Li5MnO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5649918023879308,
"spacegroup": 4
},
{
"id": "jvasp-48323",
"created_at": "2022-09-04T14:35:58.472154Z",
"updated_at": "2022-09-04T14:35:58.472178Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n-1.850615 -4.577430 -4.255016\n-1.850615 4.577430 -4.255016\n3.757380 0.000000 -2.859945\nLi Mn O F\n10 2 6 2\ndirect\n0.961501 0.545720 0.243199 Li\n0.456979 0.052953 0.753343 Li\n0.197048 0.793021 0.496659 Li\n0.793021 0.197048 0.496659 Li\n0.769498 0.769498 0.727542 Li\n0.052953 0.456979 0.753343 Li\n0.545720 0.961501 0.243199 Li\n0.288499 0.704280 0.006804 Li\n0.704280 0.288499 0.006804 Li\n0.480502 0.480502 0.522461 Li\n0.256461 0.256461 0.248740 Mn\n-0.006461 -0.006461 0.001261 Mn\n0.981133 0.268867 0.125002 O\n0.268867 0.981133 0.125002 O\n0.223536 0.518411 0.373995 O\n0.518411 0.223536 0.373995 O\n0.731589 0.026464 0.876007 O\n0.026464 0.731589 0.876007 O\n0.772998 0.477002 0.625002 F\n0.477002 0.772998 0.625002 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.670237728436593,
"density_atomic": 0.10265949683654176,
"volume": 194.81880017242574,
"volume_molar": 5.8661311866633,
"formula_full": "Li10 Mn2 O6 F2",
"formula_reduced": "Li5MnO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5570368023879309,
"spacegroup": 12
}
]
}