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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3675",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3673",
"results": [
{
"id": "jvasp-48233",
"created_at": "2022-09-04T14:35:55.588461Z",
"updated_at": "2022-09-04T14:35:55.588488Z",
"structure_string": "Li4 Mn5 O10\n1.0\n-5.033852 -0.250445 -0.707174\n0.566796 4.864255 0.019543\n-1.270198 -2.288635 -7.009651\nLi Mn O\n4 5 10\ndirect\n0.487348 0.887073 0.295194 Li\n0.487366 0.288450 0.098832 Li\n0.485383 0.505905 0.525845 Li\n0.485363 0.104585 0.722217 Li\n0.983703 -0.010037 0.008970 Mn\n-0.010104 0.594077 0.209435 Mn\n0.982800 0.798898 0.611626 Mn\n0.986357 0.196487 0.410523 Mn\n0.988993 0.403014 0.812078 Mn\n0.206906 0.750452 0.762890 O\n0.767545 0.445284 0.651866 O\n0.213970 0.546297 0.367415 O\n0.759568 0.245707 0.255405 O\n0.765789 0.642522 0.058167 O\n0.758734 0.846683 0.453638 O\n0.205162 0.947679 0.169175 O\n0.213134 0.147275 0.565651 O\n0.205695 0.336711 -0.032714 O\n0.766997 0.056266 0.853769 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.5990560008773445,
"density_atomic": 0.11379156868632545,
"volume": 166.97194897079635,
"volume_molar": 5.292255682493015,
"formula_full": "Li4 Mn5 O10",
"formula_reduced": "Li4Mn5O10",
"formula_anonymous": "A4B5C10",
"energy_above_hull": 3.085177958257713,
"spacegroup": 2
},
{
"id": "jvasp-91859",
"created_at": "2022-09-04T14:35:59.175416Z",
"updated_at": "2022-09-04T14:35:59.175444Z",
"structure_string": "Li2 Mn2 O4\n1.0\n4.734611 -0.000273 3.347835\n2.305218 2.899248 6.783259\n-0.061955 -0.000118 5.109396\nLi Mn O\n2 2 4\ndirect\n0.248650 0.500737 0.998353 Li\n0.498624 0.000715 0.998453 Li\n0.998719 0.000711 0.998289 Mn\n0.748674 0.500731 0.998293 Mn\n0.233112 0.000715 0.529459 O\n0.764282 0.000736 0.467083 O\n0.514294 0.500726 0.467105 O\n0.983121 0.500707 0.529482 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.407142138007908,
"density_atomic": 0.11308495764291467,
"volume": 70.74327272829146,
"volume_molar": 5.325324327410505,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9300060603448277,
"spacegroup": 141
},
{
"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-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-44243",
"created_at": "2022-09-04T14:38:12.405583Z",
"updated_at": "2022-09-04T14:38:12.405614Z",
"structure_string": "Li10 Mn2 O8\n1.0\n4.955113 0.000000 0.000000\n0.000000 5.070989 0.000000\n0.000000 0.000000 7.272756\nLi Mn O\n10 2 8\ndirect\n0.939804 0.078544 0.325685 Li\n0.275051 0.418569 0.815154 Li\n0.275051 0.418569 0.184846 Li\n0.439805 0.921456 0.825685 Li\n0.439805 0.921456 0.174315 Li\n0.229955 0.667953 0.500000 Li\n0.775051 0.581432 0.315154 Li\n0.775051 0.581432 0.684847 Li\n0.939804 0.078544 0.674316 Li\n0.729955 0.332047 0.000000 Li\n0.981228 0.845818 0.000000 Mn\n0.481228 0.154182 0.500000 Mn\n0.099899 0.756895 0.758691 O\n0.631663 0.700332 0.000000 O\n0.619691 0.809465 0.500000 O\n0.599899 0.243105 0.258690 O\n0.599899 0.243105 0.741310 O\n0.131664 0.299668 0.500000 O\n0.119691 0.190535 0.000000 O\n0.099899 0.756895 0.241310 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.792157846194959,
"density_atomic": 0.10944218295708989,
"volume": 182.74489287043556,
"volume_molar": 5.502577340184417,
"formula_full": "Li10 Mn2 O8",
"formula_reduced": "Li5MnO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.8797831241379308,
"spacegroup": 31
},
{
"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-44701",
"created_at": "2022-09-04T14:38:08.865340Z",
"updated_at": "2022-09-04T14:38:08.865368Z",
"structure_string": "Li12 Mn4 O12\n1.0\n8.961145 -0.000000 0.000000\n0.000000 8.961145 0.000000\n0.000000 0.000000 3.481018\nLi Mn O\n12 4 12\ndirect\n0.355767 0.094702 0.500000 Li\n0.594702 0.144233 0.000000 Li\n0.172378 0.172378 0.000000 Li\n0.672379 0.327622 0.500000 Li\n0.094702 0.355767 0.500000 Li\n0.855767 0.405298 0.000000 Li\n0.144233 0.594702 0.000000 Li\n0.905299 0.644233 0.500000 Li\n0.327622 0.672379 0.500000 Li\n0.827622 0.827622 0.000000 Li\n0.405298 0.855767 0.000000 Li\n0.644233 0.905299 0.500000 Li\n0.115494 0.884506 0.500000 Mn\n0.615495 0.615495 0.000000 Mn\n0.384506 0.384506 0.000000 Mn\n0.884506 0.115494 0.500000 Mn\n0.102159 0.102159 0.500000 O\n0.678193 0.112524 0.500000 O\n0.387477 0.178192 0.000000 O\n0.887477 0.321808 0.500000 O\n0.178192 0.387477 0.000000 O\n0.602160 0.397841 0.000000 O\n0.397841 0.602160 0.000000 O\n0.821808 0.612524 0.000000 O\n0.112524 0.678193 0.500000 O\n0.612524 0.821808 0.000000 O\n0.321808 0.887477 0.500000 O\n0.897841 0.897841 0.500000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.9407185541775323,
"density_atomic": 0.10016701986542134,
"volume": 279.53312415223286,
"volume_molar": 6.012099359740364,
"formula_full": "Li12 Mn4 O12",
"formula_reduced": "Li3MnO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.9201739630541872,
"spacegroup": 136
},
{
"id": "jvasp-43007",
"created_at": "2022-09-04T14:38:16.254070Z",
"updated_at": "2022-09-04T14:38:16.254082Z",
"structure_string": "Li2 Mn1 O2\n1.0\n5.132862 -0.003804 0.010501\n2.967934 4.187798 -0.010501\n-4.358937 -1.494625 2.261011\nLi Mn O\n2 1 2\ndirect\n0.301374 0.801377 0.500000 Li\n0.698622 0.198625 0.500000 Li\n-0.000001 0.500001 0.500000 Mn\n0.355075 0.355077 -0.000000 O\n0.644923 0.644925 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.4382720927068062,
"density_atomic": 0.10268793756075872,
"volume": 48.6912106598848,
"volume_molar": 5.8645064873727755,
"formula_full": "Li2 Mn1 O2",
"formula_reduced": "Li2MnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8504688482758616,
"spacegroup": 71
},
{
"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
},
{
"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-47888",
"created_at": "2022-09-04T14:36:48.699816Z",
"updated_at": "2022-09-04T14:36:48.699838Z",
"structure_string": "Li2 Mn4 O8\n1.0\n2.680792 -3.039689 4.021673\n-2.680792 3.039689 4.021673\n-3.072281 -2.643455 4.021673\nLi Mn O\n2 4 8\ndirect\n0.500000 -0.000001 0.500001 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.499999 0.500000 Mn\n-0.000000 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.242338 0.761525 0.019179 O\n0.240749 0.214194 0.026562 O\n0.240756 0.767310 0.473438 O\n0.219295 0.238483 0.519180 O\n0.780704 0.761515 0.480821 O\n0.759243 0.232688 0.526562 O\n0.759250 0.785804 0.973439 O\n0.757662 0.238474 -0.019179 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.54529319244131,
"density_atomic": 0.10596858467012531,
"volume": 132.11462664695648,
"volume_molar": 5.682949129448706,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.787596926108374,
"spacegroup": 74
},
{
"id": "jvasp-52791",
"created_at": "2022-09-04T14:36:20.832061Z",
"updated_at": "2022-09-04T14:36:20.832087Z",
"structure_string": "Li6 Mn4 O8\n1.0\n5.083252 -0.070498 -2.797753\n-1.471734 4.866049 -2.797753\n0.208251 0.276526 6.390150\nLi Mn O\n6 4 8\ndirect\n0.875029 0.124971 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.124972 0.875029 0.250001 Li\n0.500000 0.000000 0.500000 Li\n0.500000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500001 0.500001 Mn\n0.500000 0.500000 0.500001 Mn\n0.734695 0.240470 0.981014 O\n0.265306 0.759530 0.018987 O\n0.246344 0.240501 0.981052 O\n0.759500 0.753656 0.518950 O\n0.759530 0.265305 0.518987 O\n0.240500 0.246345 0.481051 O\n0.240470 0.734695 0.481014 O\n0.753656 0.759500 0.018950 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9105793467427823,
"density_atomic": 0.10886190904752953,
"volume": 165.3470911679597,
"volume_molar": 5.531908095944479,
"formula_full": "Li6 Mn4 O8",
"formula_reduced": "Li3Mn2O4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.4668042758620685,
"spacegroup": 141
}
]
}