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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=970",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=968",
"results": [
{
"id": "jvasp-44723",
"created_at": "2022-09-04T14:38:05.274390Z",
"updated_at": "2022-09-04T14:38:05.274403Z",
"structure_string": "Li3 Mn1 O4\n1.0\n2.840291 0.006006 0.004597\n-0.011108 4.916699 0.041306\n-0.004739 -1.566030 4.660863\nLi Mn O\n3 1 4\ndirect\n0.004561 -0.000001 0.001897 Li\n0.504552 0.500019 0.001935 Li\n0.004547 0.500033 0.501926 Li\n0.504217 0.000041 0.501917 Mn\n0.004442 0.773011 0.274907 O\n0.504539 0.227062 0.274874 O\n0.004594 0.227064 0.728937 O\n0.504536 0.773008 0.728958 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.5554739086145712,
"density_atomic": 0.12256309069730151,
"volume": 65.27250540505615,
"volume_molar": 4.913502691338862,
"formula_full": "Li3 Mn1 O4",
"formula_reduced": "Li3MnO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.0729264051724137,
"spacegroup": 65
},
{
"id": "jvasp-47757",
"created_at": "2022-09-04T14:38:15.458231Z",
"updated_at": "2022-09-04T14:38:15.458241Z",
"structure_string": "Li12 Mn2 O9\n1.0\n5.581025 -0.006024 -0.007302\n2.646840 5.018282 -0.001231\n0.397448 0.142185 8.006728\nLi Mn O\n12 2 9\ndirect\n0.698927 0.943935 0.919488 Li\n0.069128 0.332818 0.396341 Li\n0.621887 0.075905 0.403310 Li\n0.716323 0.297393 0.069138 Li\n0.035705 0.621186 0.086592 Li\n0.680546 0.375797 0.582564 Li\n0.294704 0.059949 0.077995 Li\n0.999718 0.028162 0.772438 Li\n0.027935 0.961289 0.260207 Li\n0.343602 0.936483 0.571128 Li\n0.949483 0.708873 0.583973 Li\n0.366264 0.677729 0.917930 Li\n0.621102 0.669974 0.273670 Mn\n0.303749 0.329751 0.757373 Mn\n0.638043 0.039098 0.669291 O\n0.918096 0.708756 0.349336 O\n0.343840 0.006914 0.322079 O\n0.020810 0.960659 0.008415 O\n0.649019 0.675361 0.036593 O\n0.283581 0.667198 0.683215 O\n0.745639 0.312264 0.325559 O\n0.385276 0.322319 0.979966 O\n0.044163 0.299812 0.634033 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.495126453303837,
"density_atomic": 0.10250187011579562,
"volume": 224.38614996991828,
"volume_molar": 5.875152085710077,
"formula_full": "Li12 Mn2 O9",
"formula_reduced": "Li12Mn2O9",
"formula_anonymous": "A2B9C12",
"energy_above_hull": 2.045596347076461,
"spacegroup": 1
},
{
"id": "jvasp-46194",
"created_at": "2022-09-04T14:38:09.365602Z",
"updated_at": "2022-09-04T14:38:09.365616Z",
"structure_string": "Li1 Mn4 O8\n1.0\n-5.709949 0.000000 0.000000\n0.000000 3.027043 -5.002129\n-2.854975 -1.909887 -4.726257\nLi Mn O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.499999 0.500000 0.500001 Mn\n0.500000 -0.000000 0.000000 Mn\n-0.000001 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.731787 0.762372 0.030265 O\n0.762048 0.731496 0.475902 O\n0.733877 0.266427 0.532247 O\n0.237947 0.762372 0.030265 O\n0.762052 0.237628 0.969737 O\n0.266121 0.733573 0.467755 O\n0.237950 0.268503 0.524100 O\n0.268211 0.237628 0.969737 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.323065889988293,
"density_atomic": 0.09541994216793714,
"volume": 136.23986458847634,
"volume_molar": 6.311197243654954,
"formula_full": "Li1 Mn4 O8",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.346992074270557,
"spacegroup": 166
},
{
"id": "jvasp-11735",
"created_at": "2022-09-04T14:38:10.920889Z",
"updated_at": "2022-09-04T14:38:10.920916Z",
"structure_string": "Li4 Mn2 O6\n1.0\n4.864806 -0.000967 -0.820750\n-2.633774 4.090180 -0.820750\n-0.001993 -0.003654 5.008280\nLi Mn O\n4 2 6\ndirect\n0.338807 0.661194 0.500000 Li\n0.661195 0.338806 0.500000 Li\n0.500001 0.500000 0.000000 Li\n0.000001 0.000001 0.500000 Li\n0.167141 0.832860 0.000000 Mn\n0.832861 0.167139 0.000000 Mn\n0.068447 0.424262 0.774718 O\n0.575740 0.931554 0.225282 O\n0.779193 0.779192 0.771350 O\n0.220809 0.220809 0.228651 O\n0.424262 0.068446 0.774718 O\n0.931555 0.575739 0.225282 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8947180010720968,
"density_atomic": 0.1204668330588294,
"volume": 99.61248001049266,
"volume_molar": 4.999003133965609,
"formula_full": "Li4 Mn2 O6",
"formula_reduced": "Li2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0130546235632187,
"spacegroup": 12
},
{
"id": "jvasp-46519",
"created_at": "2022-09-04T14:38:15.141367Z",
"updated_at": "2022-09-04T14:38:15.141398Z",
"structure_string": "Li1 Mn4 O8\n1.0\n2.881545 0.001027 0.000690\n-1.438026 -6.926490 -0.276630\n-1.439314 -0.105472 -6.666195\nLi Mn O\n1 4 8\ndirect\n-0.016871 -0.057907 -0.041285 Li\n0.392387 0.533945 0.185243 Mn\n0.202549 0.824859 0.514691 Mn\n0.870748 0.185134 0.490792 Mn\n0.680795 0.474762 0.821256 Mn\n0.878879 0.662483 0.029738 O\n0.581673 0.737881 0.359904 O\n0.836657 0.945461 0.662285 O\n0.894471 0.405908 0.317424 O\n0.180625 0.605541 0.690171 O\n0.240188 0.063832 0.350987 O\n0.492798 0.273569 0.646457 O\n0.197607 0.354179 0.975421 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.430032288844422,
"density_atomic": 0.0977809350032307,
"volume": 132.9502525167148,
"volume_molar": 6.15880872871693,
"formula_full": "Li1 Mn4 O8",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.3460205358090187,
"spacegroup": 8
},
{
"id": "jvasp-34813",
"created_at": "2022-09-04T14:37:11.890048Z",
"updated_at": "2022-09-04T14:37:11.890064Z",
"structure_string": "Li2 Mn4 O8\n1.0\n4.971963 -0.000000 2.870565\n1.657321 4.687612 2.870565\n-0.000000 -0.000000 5.741129\nLi Mn O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.874999 0.875000 0.874999 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.262316 0.262317 0.713049 O\n0.737683 0.737683 0.737683 O\n0.737683 0.737683 0.286950 O\n0.262316 0.713049 0.262316 O\n0.262316 0.262317 0.262316 O\n0.286951 0.737683 0.737683 O\n0.737683 0.286951 0.737683 O\n0.713049 0.262317 0.262316 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.487825412956823,
"density_atomic": 0.10462878567404885,
"volume": 133.80638903345726,
"volume_molar": 5.755720781048571,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.776309783251232,
"spacegroup": 227
},
{
"id": "jvasp-52142",
"created_at": "2022-09-04T14:37:13.801835Z",
"updated_at": "2022-09-04T14:37:13.801856Z",
"structure_string": "Li3 Mn3 O8\n1.0\n5.785373 0.043928 0.031062\n2.930729 4.988316 0.031062\n2.930729 1.692058 4.692676\nLi Mn O\n3 3 8\ndirect\n0.004545 0.004545 0.004545 Li\n0.245455 0.245455 0.245455 Li\n0.624999 0.625001 0.625000 Li\n0.125000 0.625001 0.625000 Mn\n0.624999 0.125001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.385580 0.385581 0.385580 O\n0.375482 0.375483 0.834742 O\n0.375482 0.834743 0.375482 O\n0.834741 0.375483 0.375482 O\n0.415257 0.874519 0.874518 O\n0.874517 0.874519 0.415258 O\n0.874517 0.415259 0.874518 O\n0.864419 0.864421 0.864420 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.880103152854771,
"density_atomic": 0.10430409957902037,
"volume": 134.22291220100755,
"volume_molar": 5.773637646368492,
"formula_full": "Li3 Mn3 O8",
"formula_reduced": "Li3Mn3O8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 2.867483551724137,
"spacegroup": 166
},
{
"id": "jvasp-103153",
"created_at": "2022-09-04T14:37:07.622009Z",
"updated_at": "2022-09-04T14:37:07.622038Z",
"structure_string": "Li4 Mn2 O4\n1.0\n4.269628 0.253098 2.010545\n0.989864 4.597696 0.466096\n0.194394 0.126608 5.125849\nLi Mn O\n4 2 4\ndirect\n0.948395 0.250001 0.603214 Li\n0.448394 0.750001 0.603215 Li\n0.551604 0.250001 0.396788 Li\n0.051603 0.750001 0.396788 Li\n0.749999 0.750001 0.000001 Mn\n0.250000 0.250000 0.000001 Mn\n0.145053 0.500001 0.709901 O\n0.645050 0.000005 0.709901 O\n0.354946 -0.000000 0.290101 O\n0.854949 0.499996 0.290102 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.431854376041821,
"density_atomic": 0.10249626509551825,
"volume": 97.56453067515004,
"volume_molar": 5.875473369090913,
"formula_full": "Li4 Mn2 O4",
"formula_reduced": "Li2MnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8508008482758616,
"spacegroup": 71
},
{
"id": "jvasp-57303",
"created_at": "2022-09-04T14:37:11.514771Z",
"updated_at": "2022-09-04T14:37:11.514800Z",
"structure_string": "Li4 Mn4 O8\n1.0\n5.025583 -0.000000 -2.621439\n-1.367392 4.835983 -2.621439\n0.007564 0.009999 6.142515\nLi Mn O\n4 4 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 -0.000000 Mn\n0.499999 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.253261 0.771778 0.506521 O\n0.234743 0.253261 0.006521 O\n0.746738 0.228222 0.493479 O\n0.746738 0.765257 0.493479 O\n0.228221 0.746739 0.993479 O\n0.765256 0.746739 0.993479 O\n0.771777 0.253261 0.006521 O\n0.253261 0.234743 0.506521 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.169548055685348,
"density_atomic": 0.10698841800469036,
"volume": 149.5488978937754,
"volume_molar": 5.6287782101198935,
"formula_full": "Li4 Mn4 O8",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9371685603448277,
"spacegroup": 141
},
{
"id": "jvasp-118982",
"created_at": "2022-09-04T14:38:50.803895Z",
"updated_at": "2022-09-04T14:38:50.803921Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.760708 0.080182 -0.651827\n-0.659143 9.428624 -1.660045\n0.053313 -0.028119 6.393454\nLi Mn O\n6 4 10\ndirect\n0.900005 0.699999 0.799992 Li\n0.400009 0.200003 0.800004 Li\n0.089538 0.294756 0.179077 Li\n0.710495 0.105244 0.420929 Li\n0.495402 0.488728 0.991270 Li\n0.304637 0.911278 0.608732 Li\n0.996630 0.005450 0.993577 Mn\n0.601732 0.799374 0.203496 Mn\n0.803347 0.394547 0.606420 Mn\n0.198248 0.600621 0.396496 Mn\n0.143030 0.937213 0.286680 O\n0.547923 0.133556 0.096591 O\n0.252072 0.266441 0.503413 O\n0.338726 0.542095 0.677788 O\n0.461263 0.857904 0.922204 O\n0.939354 0.356239 0.878617 O\n0.860651 0.043765 0.721386 O\n0.743332 0.739966 0.487293 O\n0.056655 0.660032 0.112699 O\n0.656956 0.462783 0.313318 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.191628764704181,
"density_atomic": 0.11980563304917902,
"volume": 166.93705872569615,
"volume_molar": 5.026592328532643,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.497132198275862,
"spacegroup": 12
},
{
"id": "jvasp-46265",
"created_at": "2022-09-04T14:38:04.469134Z",
"updated_at": "2022-09-04T14:38:04.469144Z",
"structure_string": "Li4 Mn4 O6\n1.0\n0.000000 5.043523 0.074767\n4.788805 0.000000 0.000000\n0.000000 -2.345959 -5.113239\nLi Mn O\n4 4 6\ndirect\n0.233021 0.679659 0.092756 Li\n0.733021 0.820340 0.092755 Li\n0.266978 0.179659 0.907244 Li\n0.766978 0.320340 0.907244 Li\n0.762208 0.369987 0.388548 Mn\n0.737791 0.869986 0.611451 Mn\n0.262208 0.130013 0.388548 Mn\n0.237791 0.630012 0.611452 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.563312 0.031763 0.280458 O\n0.936687 0.531763 0.719541 O\n0.063312 0.468236 0.280458 O\n0.436687 0.968236 0.719542 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.650486704281594,
"density_atomic": 0.11413916708237784,
"volume": 122.65728196435636,
"volume_molar": 5.276138694488309,
"formula_full": "Li4 Mn4 O6",
"formula_reduced": "Li2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.569073568965517,
"spacegroup": 14
},
{
"id": "jvasp-44900",
"created_at": "2022-09-04T14:38:07.332281Z",
"updated_at": "2022-09-04T14:38:07.332303Z",
"structure_string": "Li2 Mn4 O8\n1.0\n5.753572 0.034525 0.024412\n2.906685 4.965477 0.024412\n2.906685 1.678176 4.673359\nLi Mn O\n2 4 8\ndirect\n0.121339 0.121340 0.121340 Li\n0.496287 0.496289 0.496287 Li\n0.008235 0.498776 0.498775 Mn\n0.498775 0.498776 0.008236 Mn\n0.498774 0.008238 0.498775 Mn\n0.878917 0.878922 0.878919 Mn\n0.261265 0.261267 0.261266 O\n0.252037 0.715590 0.252038 O\n0.252037 0.252040 0.715589 O\n0.715588 0.252040 0.252038 O\n0.265973 0.752135 0.752133 O\n0.752132 0.752135 0.265974 O\n0.752132 0.265977 0.752133 O\n0.746488 0.746493 0.746490 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.5293810487014445,
"density_atomic": 0.10559761028414173,
"volume": 132.57875781780328,
"volume_molar": 5.702913866891156,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7985697832512315,
"spacegroup": 160
}
]
}