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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-106894",
"created_at": "2022-09-04T14:36:50.799668Z",
"updated_at": "2022-09-04T14:36:50.799690Z",
"structure_string": "Li2 Mn2 O2 F4\n1.0\n4.465087 0.002292 2.773792\n-1.736278 4.567130 -2.189567\n-0.022353 0.029637 5.016583\nLi Mn O F\n2 2 2 4\ndirect\n0.410646 0.342065 0.446314 Li\n0.981141 0.842001 0.946264 Li\n0.733533 0.212785 0.734703 Mn\n0.240598 0.712795 0.234710 Mn\n0.362994 0.998143 0.025049 O\n0.106144 0.498163 0.525076 O\n0.002472 0.014050 0.662332 F\n0.632268 0.960287 0.326487 F\n0.497614 0.460326 0.826507 F\n0.845283 0.514030 0.162360 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.745253246670272,
"density_atomic": 0.09732208546945044,
"volume": 102.75160002750883,
"volume_molar": 6.187845986808782,
"formula_full": "Li2 Mn2 O2 F4",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.006466261275862,
"spacegroup": 9
},
{
"id": "jvasp-48917",
"created_at": "2022-09-04T14:35:46.722409Z",
"updated_at": "2022-09-04T14:35:46.722420Z",
"structure_string": "Li1 Mn7 O9 F3\n1.0\n4.286152 2.474611 3.356852\n-4.286152 2.474612 3.356852\n0.000000 -4.949223 3.356852\nLi Mn O F\n1 7 9 3\ndirect\n0.535232 0.535232 0.535232 Li\n0.084089 0.754695 0.548581 Mn\n0.419418 0.942281 0.240333 Mn\n0.240333 0.419418 0.942281 Mn\n0.981508 0.981508 0.981508 Mn\n0.754695 0.548581 0.084089 Mn\n0.548581 0.084089 0.754695 Mn\n0.942281 0.240333 0.419418 Mn\n0.872409 0.058069 0.689815 O\n0.959204 0.300950 0.089003 O\n0.849037 0.573350 0.407932 O\n0.300950 0.089003 0.959204 O\n0.058069 0.689815 0.872408 O\n0.689815 0.872409 0.058069 O\n0.407932 0.849037 0.573350 O\n0.089003 0.959204 0.300950 O\n0.573350 0.407933 0.849037 O\n0.389621 0.583758 0.220707 F\n0.220707 0.389621 0.583758 F\n0.583758 0.220707 0.389621 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.60550549493669,
"density_atomic": 0.09362071550902791,
"volume": 213.627933639018,
"volume_molar": 6.432487433210527,
"formula_full": "Li1 Mn7 O9 F3",
"formula_reduced": "LiMn7(O3F)3",
"formula_anonymous": "AB3C7D9",
"energy_above_hull": 3.166366651857758,
"spacegroup": 146
},
{
"id": "jvasp-48971",
"created_at": "2022-09-04T14:35:41.427923Z",
"updated_at": "2022-09-04T14:35:41.427947Z",
"structure_string": "Li4 Mn1 O2 F3\n1.0\n3.879225 0.003388 0.000560\n1.935556 4.645786 0.032704\n1.938572 0.260521 4.857501\nLi Mn O F\n4 1 2 3\ndirect\n0.190593 0.200438 0.413669 Li\n0.606656 0.601625 0.180368 Li\n0.416931 0.387088 0.774359 Li\n0.801178 0.771246 0.621704 Li\n0.986007 0.030288 0.993008 Mn\n0.496507 0.996758 0.005545 O\n0.901439 0.380261 0.812161 O\n0.687369 0.213912 0.406644 F\n0.074158 0.632258 0.214733 F\n0.301127 0.795068 0.597975 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.2593952428894006,
"density_atomic": 0.11432142105807926,
"volume": 87.4726705410673,
"volume_molar": 5.2677273465141266,
"formula_full": "Li4 Mn1 O2 F3",
"formula_reduced": "Li4MnO2F3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.1049075088879308,
"spacegroup": 8
},
{
"id": "jvasp-90524",
"created_at": "2022-09-04T14:35:45.278185Z",
"updated_at": "2022-09-04T14:35:45.278210Z",
"structure_string": "Li3 Mn1 O1 F4\n1.0\n-3.597187 0.000171 -0.000327\n-1.798305 5.067712 0.072409\n-1.798098 -0.072319 -5.064633\nLi Mn O F\n3 1 1 4\ndirect\n0.785615 0.579386 0.849406 Li\n0.436079 0.749065 0.378797 Li\n0.599463 0.252882 0.548230 Li\n0.981038 0.025900 0.012083 Mn\n0.528294 0.945922 -0.002470 O\n0.868873 0.890120 0.372165 F\n0.698402 0.405785 0.197429 F\n0.333209 0.610130 0.723483 F\n0.058081 0.206982 0.676881 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.0179321980343503,
"density_atomic": 0.09750566675282991,
"volume": 92.30232764639592,
"volume_molar": 6.176195661802621,
"formula_full": "Li3 Mn1 O1 F4",
"formula_reduced": "Li3MnOF4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7653424301532568,
"spacegroup": 8
},
{
"id": "jvasp-48166",
"created_at": "2022-09-04T14:35:41.426912Z",
"updated_at": "2022-09-04T14:35:41.426938Z",
"structure_string": "Li1 Mn5 O3 F5\n1.0\n-0.012728 4.475342 4.475342\n4.456801 0.034823 4.426557\n4.456801 4.426557 0.034823\nLi Mn O F\n1 5 3 5\ndirect\n0.647271 0.608413 0.608413 Li\n0.992844 0.968586 0.968586 Mn\n0.219279 0.288791 0.288791 Mn\n0.638905 0.133490 0.613532 Mn\n0.638905 0.613532 0.133490 Mn\n0.129438 0.625421 0.625421 Mn\n0.383787 0.399813 0.399813 O\n0.847087 0.387689 0.387689 O\n0.860968 0.848932 0.848932 O\n0.387029 0.871674 0.392168 F\n0.387029 0.392168 0.871674 F\n0.865684 0.378381 0.863904 F\n0.865684 0.863904 0.378381 F\n0.386090 0.869203 0.869203 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.018997665859671,
"density_atomic": 0.07979850817941948,
"volume": 175.44187628824224,
"volume_molar": 7.5466833871878665,
"formula_full": "Li1 Mn5 O3 F5",
"formula_reduced": "LiMn5O3F5",
"formula_anonymous": "AB3C5D5",
"energy_above_hull": 2.360775579956897,
"spacegroup": 8
},
{
"id": "jvasp-117078",
"created_at": "2022-09-04T14:38:46.479394Z",
"updated_at": "2022-09-04T14:38:46.479421Z",
"structure_string": "Li1 Mn5 O7 F1\n1.0\n5.216659 -0.005037 2.874534\n1.695799 4.933338 2.874534\n-0.007064 -0.005037 5.956210\nLi Mn O F\n1 5 7 1\ndirect\n0.763449 0.763447 0.763446 Li\n0.377223 0.377222 0.377222 Mn\n0.986494 0.986492 0.986491 Mn\n0.367361 0.876097 0.367360 Mn\n0.367362 0.367360 0.876096 Mn\n0.876098 0.367360 0.367360 Mn\n0.175208 0.617592 0.617591 O\n0.617593 0.617592 0.175207 O\n0.133938 0.133937 0.576845 O\n0.121165 0.121165 0.121165 O\n0.576845 0.133937 0.133937 O\n0.133938 0.576845 0.133937 O\n0.617593 0.175207 0.617592 O\n0.635744 0.635743 0.635742 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.464054159381768,
"density_atomic": 0.09121208959048592,
"volume": 153.48842530475588,
"volume_molar": 6.6023493015427555,
"formula_full": "Li1 Mn5 O7 F1",
"formula_reduced": "LiMn5O7F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 3.2740450706711823,
"spacegroup": 160
},
{
"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-119340",
"created_at": "2022-09-04T14:38:47.316812Z",
"updated_at": "2022-09-04T14:38:47.316833Z",
"structure_string": "Li6 Mn2 O1 F11\n1.0\n4.793635 -0.018756 1.429154\n-2.699124 4.696473 0.357818\n0.020839 0.029325 8.685617\nLi Mn O F\n6 2 1 11\ndirect\n0.144891 0.341960 0.060050 Li\n0.363016 0.407451 0.689086 Li\n0.633111 0.604285 0.336971 Li\n0.866020 0.145173 0.412078 Li\n0.824564 0.617225 0.930250 Li\n0.637690 0.132251 0.818812 Li\n0.164231 0.897561 0.568607 Mn\n0.335513 0.851887 0.180454 Mn\n0.410587 0.874721 0.374535 O\n0.553305 0.113421 0.614010 F\n0.453602 0.374690 0.874548 F\n0.727998 0.195241 0.043501 F\n0.767575 0.724412 0.530383 F\n0.073734 0.024961 0.218710 F\n0.243533 0.268685 0.470271 F\n0.554114 0.636057 0.135034 F\n0.076386 0.554236 0.705579 F\n0.945273 0.480748 0.278802 F\n0.254541 0.782756 0.980720 F\n0.952662 0.966700 0.768336 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.209480827257829,
"density_atomic": 0.1026706178676897,
"volume": 194.7976978747098,
"volume_molar": 5.865495781627276,
"formula_full": "Li6 Mn2 O1 F11",
"formula_reduced": "Li6Mn2OF11",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 0.7061115545129306,
"spacegroup": 5
},
{
"id": "jvasp-48174",
"created_at": "2022-09-04T14:36:18.277631Z",
"updated_at": "2022-09-04T14:36:18.277655Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n-3.052573 6.360333 4.401614\n3.052573 -6.360333 4.401614\n6.104457 -0.000352 0.000000\nLi Mn O F\n4 8 4 12\ndirect\n0.755417 0.532716 0.111345 Li\n0.032716 0.255418 0.388655 Li\n0.984599 0.744757 0.619928 Li\n0.244757 0.484599 0.880073 Li\n0.983776 0.985424 0.999187 Mn\n0.380663 0.116717 0.389189 Mn\n0.616717 0.880663 0.110811 Mn\n0.216269 0.716269 0.250000 Mn\n0.485425 0.483776 0.500814 Mn\n0.786559 0.286559 0.750001 Mn\n0.380674 0.116706 0.874771 Mn\n0.616706 0.880673 0.625230 Mn\n0.460201 0.960201 0.250000 O\n0.545047 0.045047 0.750001 O\n0.281703 0.239193 0.521249 O\n0.739193 0.781703 0.978752 O\n0.889035 0.135809 0.124154 F\n0.988971 0.488971 0.250000 F\n0.635809 0.389035 0.375846 F\n0.367056 0.615476 0.130241 F\n0.889006 0.135837 0.629051 F\n0.728285 0.741604 0.493356 F\n0.115476 0.867055 0.369759 F\n0.367076 0.615427 0.621354 F\n0.635837 0.389006 0.870950 F\n0.015983 0.515983 0.750000 F\n0.241604 0.228286 0.006644 F\n0.115428 0.867075 0.878647 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6887161980568473,
"density_atomic": 0.08192212469524156,
"volume": 341.7880103105575,
"volume_molar": 7.351055386323246,
"formula_full": "Li4 Mn8 O4 F12",
"formula_reduced": "LiMn2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.494339832894089,
"spacegroup": 44
},
{
"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-48324",
"created_at": "2022-09-04T14:36:02.044531Z",
"updated_at": "2022-09-04T14:36:02.044553Z",
"structure_string": "Li4 Mn7 O2 F14\n1.0\n0.000000 -4.492220 -4.492220\n-4.294634 -0.199834 -4.292386\n8.965707 4.468017 -4.468017\nLi Mn O F\n4 7 2 14\ndirect\n0.634722 0.730557 0.100697 Li\n0.973617 0.052764 0.015518 Li\n0.151383 0.697236 0.609483 Li\n0.490278 0.019444 0.524304 Li\n0.562500 0.375001 0.812501 Mn\n0.847892 0.304215 0.546912 Mn\n0.562500 0.875001 0.812501 Mn\n0.062500 0.375001 0.812501 Mn\n0.562500 0.375000 0.312500 Mn\n0.277107 0.445786 0.078088 Mn\n0.062500 0.375000 0.312500 Mn\n0.424495 0.151008 0.721860 O\n0.700504 0.598993 0.903141 O\n0.194647 0.139876 0.439081 F\n0.169172 0.661657 0.948894 F\n0.955828 0.088344 0.676107 F\n0.939133 0.596085 0.669632 F\n0.464782 0.596085 0.669632 F\n0.665479 0.139876 0.439081 F\n0.930353 0.610125 0.185919 F\n0.198841 0.602318 0.426008 F\n0.426588 0.146827 0.184515 F\n0.698412 0.603174 0.440486 F\n0.459521 0.610125 0.185919 F\n0.185867 0.153916 0.955369 F\n0.926158 0.147682 0.198992 F\n0.660218 0.153916 0.955369 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.497597459501257,
"density_atomic": 0.08006423230097144,
"volume": 337.2292373766057,
"volume_molar": 7.521636799516195,
"formula_full": "Li4 Mn7 O2 F14",
"formula_reduced": "Li4Mn7(OF7)2",
"formula_anonymous": "A2B4C7D14",
"energy_above_hull": 1.5816082090613028,
"spacegroup": 12
},
{
"id": "jvasp-42837",
"created_at": "2022-09-04T14:36:08.869892Z",
"updated_at": "2022-09-04T14:36:08.869919Z",
"structure_string": "Li4 Mn3 O1 F8\n1.0\n-0.000000 2.947873 -0.000000\n-4.852173 1.473936 0.000465\n-2.398014 0.000000 11.294763\nLi Mn O F\n4 3 1 8\ndirect\n0.140863 0.718278 0.548113 Li\n0.768765 0.462470 0.126860 Li\n0.861305 0.277387 0.442387 Li\n-0.002542 0.005083 0.006665 Li\n0.561155 0.877690 0.289543 Mn\n0.243374 0.513252 0.880798 Mn\n0.426043 0.147914 0.718781 Mn\n0.871662 0.256676 0.836446 O\n0.626961 0.746079 0.962699 F\n0.091602 0.816796 0.708368 F\n0.128550 0.742903 0.166610 F\n0.200193 0.599614 0.394011 F\n0.802500 0.395000 0.593795 F\n0.900330 0.199339 0.278607 F\n0.375284 0.249433 0.063230 F\n0.503963 0.992077 0.483083 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.706116307130937,
"density_atomic": 0.09903909209562074,
"volume": 161.55236948812336,
"volume_molar": 6.080569432306301,
"formula_full": "Li4 Mn3 O1 F8",
"formula_reduced": "Li4Mn3OF8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.1418492177586204,
"spacegroup": 8
}
]
}