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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=415",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=413",
"results": [
{
"id": "jvasp-117443",
"created_at": "2022-09-04T14:38:26.599744Z",
"updated_at": "2022-09-04T14:38:26.599768Z",
"structure_string": "Li5 Mn3 O5 F3\n1.0\n5.075330 -0.003771 -2.655104\n-1.580527 4.916602 -2.754606\n0.003095 -0.019115 5.982829\nLi Mn O F\n5 3 5 3\ndirect\n0.877733 0.122581 0.247005 Li\n0.864431 0.131377 0.741249 Li\n0.854108 0.603973 0.725653 Li\n0.388011 0.135827 0.271093 Li\n0.377976 0.613570 0.740670 Li\n0.860718 0.611990 0.220394 Mn\n0.375381 0.626525 0.251268 Mn\n0.383259 0.133317 0.749259 Mn\n0.607546 0.386530 0.227355 O\n0.122787 0.405310 0.249621 O\n0.631315 0.850339 0.258375 O\n0.616626 0.368637 0.739742 O\n0.144628 0.868004 0.284707 O\n0.659110 0.878301 0.790023 F\n0.145066 0.891105 0.791647 F\n0.091293 0.372603 0.711931 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.7515512474133175,
"density_atomic": 0.1074192358771801,
"volume": 148.9491139025967,
"volume_molar": 5.606203312491939,
"formula_full": "Li5 Mn3 O5 F3",
"formula_reduced": "Li5Mn3O5F3",
"formula_anonymous": "A3B3C5D5",
"energy_above_hull": 2.0246906294773703,
"spacegroup": 1
},
{
"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-48915",
"created_at": "2022-09-04T14:36:08.342761Z",
"updated_at": "2022-09-04T14:36:08.342771Z",
"structure_string": "Li4 Mn2 O2 F6\n1.0\n0.000000 3.038346 -0.069694\n5.076930 0.000000 0.000000\n0.000000 -0.230239 -9.344325\nLi Mn O F\n4 2 2 6\ndirect\n0.500458 0.771688 0.178406 Li\n0.500458 0.228312 0.678406 Li\n0.499288 0.235625 0.312068 Li\n0.499288 0.764375 0.812068 Li\n0.000564 0.746935 0.483221 Mn\n0.000564 0.253065 0.983222 Mn\n0.500838 0.867283 0.385199 O\n0.500838 0.132717 0.885199 O\n-0.000353 0.397717 0.384842 F\n-0.000353 0.602283 0.884842 F\n0.000239 0.968015 0.133656 F\n0.498970 0.418656 0.122608 F\n0.000239 0.031985 0.633656 F\n0.498970 0.581344 0.622609 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.2656412925807494,
"density_atomic": 0.09707252130253452,
"volume": 144.22207038764188,
"volume_molar": 6.203754346950051,
"formula_full": "Li4 Mn2 O2 F6",
"formula_reduced": "Li2MnOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.8638673698399013,
"spacegroup": 26
},
{
"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-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-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-116821",
"created_at": "2022-09-04T14:38:45.891398Z",
"updated_at": "2022-09-04T14:38:45.891414Z",
"structure_string": "Li6 Mn6 O6 F10\n1.0\n5.125403 0.001523 2.710348\n-1.927182 9.762333 -2.550601\n0.073931 -0.000626 6.059675\nLi Mn O F\n6 6 6 10\ndirect\n0.183644 0.568078 0.199397 Li\n0.676767 0.065978 0.713250 Li\n0.883531 0.613783 0.843712 Li\n0.379674 0.110865 0.351545 Li\n-0.001223 0.014926 0.018763 Li\n0.503686 0.517810 0.511802 Li\n0.937107 0.311824 0.438007 Mn\n0.921320 0.307421 0.944226 Mn\n0.422157 0.807593 0.443976 Mn\n0.437763 0.812324 0.937055 Mn\n0.441972 0.307481 0.944237 Mn\n0.942288 0.808081 0.442234 Mn\n0.078836 0.695984 0.532235 O\n0.577441 0.196684 0.041542 O\n0.310377 0.903881 0.279971 O\n0.567880 0.720978 0.590635 O\n0.071190 0.216804 0.075013 O\n0.804722 0.408499 0.798664 O\n0.315840 0.450591 0.307970 F\n0.301553 0.429493 0.826731 F\n0.799895 0.931269 0.335396 F\n0.557019 0.685543 0.041491 F\n0.052126 0.174305 0.562569 F\n0.088212 0.685737 0.038099 F\n0.560454 0.174183 0.561941 F\n0.826866 0.450109 0.306888 F\n0.320163 0.939891 0.829920 F\n0.788737 0.939869 0.832727 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6228028788598485,
"density_atomic": 0.09294369550413176,
"volume": 301.2576576402138,
"volume_molar": 6.479342926204489,
"formula_full": "Li6 Mn6 O6 F10",
"formula_reduced": "Li3Mn3O3F5",
"formula_anonymous": "A3B3C3D5",
"energy_above_hull": 1.7081681169027094,
"spacegroup": 8
},
{
"id": "jvasp-113209",
"created_at": "2022-09-04T14:38:44.410287Z",
"updated_at": "2022-09-04T14:38:44.410304Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n6.492005 0.066858 -3.301989\n-1.449911 5.277531 1.044425\n0.027071 -0.049616 6.897887\nLi Mn O F\n4 4 2 12\ndirect\n0.792139 0.307459 0.394785 Li\n0.918164 0.791045 0.132255 Li\n0.081837 0.208954 0.867744 Li\n0.207862 0.692540 0.605215 Li\n0.594918 0.222177 0.863373 Mn\n0.281125 0.340668 0.416926 Mn\n0.718876 0.659331 0.583074 Mn\n0.405082 0.777823 0.136627 Mn\n0.499394 0.501208 0.317186 O\n0.500606 0.498791 0.682814 O\n0.905702 0.838549 0.830836 F\n0.187920 0.687924 0.285250 F\n0.665061 0.925709 0.026531 F\n0.919127 0.717255 0.461245 F\n0.080873 0.282744 0.538755 F\n0.393037 0.019336 0.622221 F\n0.812081 0.312075 0.714750 F\n0.094298 0.161451 0.169163 F\n0.759332 0.420637 0.103969 F\n0.240669 0.579363 0.896031 F\n0.334940 0.074290 0.973469 F\n0.606963 0.980663 0.377779 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.547161657935099,
"density_atomic": 0.09260236888263762,
"volume": 237.57491590611852,
"volume_molar": 6.50322538469004,
"formula_full": "Li4 Mn4 O2 F12",
"formula_reduced": "Li2Mn2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0110563343416925,
"spacegroup": 2
},
{
"id": "jvasp-113252",
"created_at": "2022-09-04T14:38:45.925545Z",
"updated_at": "2022-09-04T14:38:45.925562Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n6.444460 -0.008578 -0.716771\n-0.462356 6.427785 0.716701\n0.002881 -0.002731 5.251189\nLi Mn O F\n4 4 4 8\ndirect\n0.218355 0.609334 0.666020 Li\n0.390667 0.781643 0.166020 Li\n0.609332 0.218358 0.833980 Li\n0.781641 0.390665 0.333979 Li\n0.089283 0.089283 0.749995 Mn\n0.259335 0.259331 0.250002 Mn\n0.740667 0.740670 0.750003 Mn\n0.910714 0.910717 0.250001 Mn\n0.001335 0.193183 0.401198 O\n0.806811 -0.001337 0.901211 O\n0.193178 0.001332 0.098796 O\n-0.001334 0.806825 0.598807 O\n0.127365 0.376463 0.867396 F\n0.290962 0.536293 0.355854 F\n0.376475 0.127366 0.632590 F\n0.463706 0.709034 0.855856 F\n0.536289 0.290962 0.144145 F\n0.623533 0.872632 0.367406 F\n0.709040 0.463708 0.644145 F\n0.872635 0.623530 0.132599 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.5382294504366825,
"density_atomic": 0.09194247926814265,
"volume": 217.52730793425366,
"volume_molar": 6.549900337619701,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.997690261275862,
"spacegroup": 15
}
]
}