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"results": [
{
"id": "jvasp-111654",
"created_at": "2022-09-04T14:38:40.772769Z",
"updated_at": "2022-09-04T14:38:40.772790Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.836979 -0.068999 0.030396\n0.122801 5.591196 1.297972\n-0.135991 -0.126406 12.433062\nLi Mn Co O\n7 2 3 12\ndirect\n0.000033 0.517944 0.979192 Li\n0.500088 0.345982 0.827416 Li\n0.499829 0.669735 0.162626 Li\n-0.000074 0.832856 0.334881 Li\n0.500065 0.991514 0.509324 Li\n0.000200 0.145049 0.682643 Li\n0.500054 0.825204 0.829516 Li\n-0.000016 0.001249 0.993164 Mn\n0.999946 0.332667 0.334861 Mn\n0.500005 0.499348 0.500633 Co\n0.499950 0.166443 0.167800 Co\n0.000034 0.668625 0.669767 Co\n0.000032 0.270767 0.492181 O\n0.499933 0.228708 0.010613 O\n0.000013 0.082970 0.847719 O\n0.999903 0.393005 0.176100 O\n0.499905 0.563966 0.337068 O\n-0.000028 0.721027 0.505760 O\n0.499996 0.892767 0.665891 O\n0.500022 0.774755 0.002536 O\n0.000064 0.587263 0.821483 O\n-0.000006 0.943677 0.162730 O\n0.499989 0.101934 0.329843 O\n0.500064 0.442545 0.656252 O\n",
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],
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
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"spacegroup": 6
},
{
"id": "jvasp-43812",
"created_at": "2022-09-04T14:36:00.842979Z",
"updated_at": "2022-09-04T14:36:00.842999Z",
"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.727194 -0.056329 0.007768\n-0.053534 5.653538 0.046388\n2.689476 2.833968 4.086913\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Co\n0.000001 0.500000 0.500000 Co\n0.000001 0.000000 0.500000 Co\n0.206197 0.737924 0.029471 O\n0.200111 0.237248 0.037136 O\n0.200019 0.736995 0.536977 O\n0.206198 0.235668 0.531728 O\n0.793803 0.764333 0.468272 O\n0.799981 0.263006 0.463024 O\n0.799889 0.762753 0.962864 O\n0.793803 0.262076 0.970529 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.632413352775328,
"density_atomic": 0.09890577372845054,
"volume": 131.4382316617024,
"volume_molar": 6.088765633171234,
"formula_full": "Li1 Mn1 Co3 O8",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.1120875339522542,
"spacegroup": 12
},
{
"id": "jvasp-105589",
"created_at": "2022-09-04T14:36:49.532790Z",
"updated_at": "2022-09-04T14:36:49.532823Z",
"structure_string": "Li2 Mn1 Co1 O4\n1.0\n2.837287 -0.000483 -0.000268\n-0.001017 4.663060 1.690271\n-0.000566 -0.047274 4.955264\nLi Mn Co O\n2 1 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000001 0.499999 Mn\n-0.000001 0.500000 0.499999 Co\n0.000028 0.756630 0.724630 O\n0.999971 0.243372 0.275369 O\n0.499871 0.258076 0.721270 O\n0.500127 0.741926 0.278729 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.840007859559596,
"density_atomic": 0.12160450976839257,
"volume": 65.78703384633322,
"volume_molar": 4.952234725068786,
"formula_full": "Li2 Mn1 Co1 O4",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.478222767672414,
"spacegroup": 10
},
{
"id": "jvasp-47887",
"created_at": "2022-09-04T14:36:48.369546Z",
"updated_at": "2022-09-04T14:36:48.369564Z",
"structure_string": "Li3 Mn1 Co3 O8\n1.0\n5.653947 -0.000513 -0.037638\n2.826529 4.896718 -0.037638\n-0.031457 -3.282983 4.741180\nLi Mn Co O\n3 1 3 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.238926 0.016905 0.777978 O\n0.240433 0.521249 0.784304 O\n0.266818 0.476881 0.210061 O\n0.736944 0.024739 0.784304 O\n0.263056 0.975262 0.215695 O\n0.733182 0.523120 0.789938 O\n0.759567 0.478752 0.215695 O\n0.761074 0.983096 0.222021 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.827008815179589,
"density_atomic": 0.11457816798451587,
"volume": 130.91499247943207,
"volume_molar": 5.255923415369875,
"formula_full": "Li3 Mn1 Co3 O8",
"formula_reduced": "Li3MnCo3O8",
"formula_anonymous": "AB3C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-43907",
"created_at": "2022-09-04T14:36:57.770491Z",
"updated_at": "2022-09-04T14:36:57.770512Z",
"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.636598 0.000000 0.000000\n2.818299 4.881437 0.000000\n0.000000 -3.254292 4.679222\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.235228 0.028042 0.792814 O\n0.235228 0.529544 0.792814 O\n0.267424 0.465154 0.197731 O\n0.736730 0.028042 0.792814 O\n0.263270 0.971959 0.207186 O\n0.732577 0.534847 0.802268 O\n0.764772 0.470456 0.207186 O\n0.764772 0.971959 0.207186 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.729231909436491,
"density_atomic": 0.10097292826078673,
"volume": 128.74738035153732,
"volume_molar": 5.964114207370892,
"formula_full": "Li1 Mn1 Co3 O8",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
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"spacegroup": 166
},
{
"id": "jvasp-43152",
"created_at": "2022-09-04T14:36:44.153734Z",
"updated_at": "2022-09-04T14:36:44.153747Z",
"structure_string": "Li4 Mn4 Co2 O12\n1.0\n4.907749 0.024417 0.000000\n-2.445209 4.255297 -0.000000\n-0.000000 0.000000 9.953150\nLi Mn Co O\n4 4 2 12\ndirect\n0.159068 0.659068 0.750000 Li\n0.340933 0.840934 0.250000 Li\n0.659068 0.159068 0.750000 Li\n0.840933 0.340933 0.250000 Li\n0.163438 0.836563 0.500000 Mn\n0.336563 0.663438 0.000000 Mn\n0.663438 0.336563 0.000000 Mn\n0.836563 0.163438 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.500000 Co\n0.503027 0.162319 0.394287 O\n0.832421 0.832421 0.399562 O\n0.337682 0.996974 0.894287 O\n0.667581 0.667581 0.899562 O\n0.332420 0.332420 0.100438 O\n0.003027 0.662319 0.105713 O\n0.496974 0.837683 0.605713 O\n0.162319 0.503027 0.394287 O\n0.996974 0.337683 0.894287 O\n0.837682 0.496974 0.605713 O\n0.167580 0.167580 0.600438 O\n0.662319 0.003027 0.105713 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.440013357478877,
"density_atomic": 0.10553829806539185,
"volume": 208.4551333807632,
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"formula_full": "Li4 Mn4 Co2 O12",
"formula_reduced": "Li2Mn2CoO6",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 64
},
{
"id": "jvasp-48204",
"created_at": "2022-09-04T14:37:51.417610Z",
"updated_at": "2022-09-04T14:37:51.417637Z",
"structure_string": "Li2 Mn2 C4 O12\n1.0\n5.354593 0.007006 -0.237159\n2.669880 6.001510 -0.120894\n2.054511 0.005120 7.635646\nLi Mn C O\n2 2 4 12\ndirect\n0.518278 -0.055352 0.683437 Li\n0.214417 0.552821 0.183408 Li\n0.613283 0.515159 0.500211 Mn\n0.879634 0.982291 0.000247 Mn\n0.350736 0.594939 0.790077 C\n0.918331 0.107775 0.700860 C\n0.696979 0.902496 0.290123 C\n0.777890 0.389519 0.200861 C\n0.923477 0.455865 0.276281 O\n0.526533 0.426979 0.299452 O\n0.955696 0.884224 0.241296 O\n0.591008 0.862976 0.441444 O\n0.905285 0.197049 0.555434 O\n0.704437 0.070471 0.799609 O\n0.591254 0.613105 0.741287 O\n0.274245 0.537978 0.660838 O\n0.563431 0.959593 0.160924 O\n0.205255 0.634439 0.941408 O\n0.130383 0.041446 0.776169 O\n0.854401 0.300099 0.055470 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-Li-Mn-O",
"density": 2.4343290402489566,
"density_atomic": 0.08059442780110376,
"volume": 248.15611383652126,
"volume_molar": 7.472155239890573,
"formula_full": "Li2 Mn2 C4 O12",
"formula_reduced": "LiMn(CO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 9
},
{
"id": "jvasp-48274",
"created_at": "2022-09-04T14:35:41.095552Z",
"updated_at": "2022-09-04T14:35:41.095570Z",
"structure_string": "Li2 Mn2 C3 O9\n1.0\n4.858622 0.000000 0.000000\n0.000000 5.016718 3.407862\n0.000000 -5.016718 3.407862\nLi Mn C O\n2 2 3 9\ndirect\n0.000000 0.862601 0.862601 Li\n0.500000 0.589296 0.589296 Li\n0.500000 0.182849 0.750915 Mn\n0.500000 0.750915 0.182849 Mn\n0.000000 0.420049 0.827842 C\n0.000000 0.827842 0.420049 C\n0.500000 0.201150 0.201150 C\n0.000000 0.219057 0.853799 O\n0.000000 0.853799 0.219057 O\n0.231418 0.520815 0.813272 O\n0.231418 0.813272 0.520815 O\n0.500000 0.178976 0.402425 O\n0.500000 0.007862 0.007862 O\n0.500000 0.402425 0.178976 O\n0.768581 0.520815 0.813272 O\n0.768581 0.813272 0.520815 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.09631084331853737,
"volume": 166.12874987587622,
"volume_molar": 6.252816975220995,
"formula_full": "Li2 Mn2 C3 O9",
"formula_reduced": "Li2Mn2(CO3)3",
"formula_anonymous": "A2B2C3D9",
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"spacegroup": 38
},
{
"id": "jvasp-46114",
"created_at": "2022-09-04T14:38:00.335754Z",
"updated_at": "2022-09-04T14:38:00.335777Z",
"structure_string": "Li1 Mn1 C2 O6\n1.0\n2.320883 1.033121 -3.884861\n-0.000000 4.104307 3.864548\n2.320883 -1.033121 3.884861\nLi Mn C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.499999 Mn\n0.245787 0.737362 0.754212 C\n0.754212 0.262639 0.245787 C\n0.038443 0.261180 0.258485 O\n0.518776 0.738821 0.038443 O\n0.258485 0.738821 0.481224 O\n0.741514 0.261180 0.518775 O\n0.481223 0.261180 0.961556 O\n0.961556 0.738821 0.741514 O\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.10805687895896636,
"volume": 92.54385372168126,
"volume_molar": 5.573121135848145,
"formula_full": "Li1 Mn1 C2 O6",
"formula_reduced": "LiMn(CO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 148
},
{
"id": "jvasp-46831",
"created_at": "2022-09-04T14:38:31.947889Z",
"updated_at": "2022-09-04T14:38:31.947919Z",
"structure_string": "Li4 Mn2 C4 O12\n1.0\n0.000000 5.142897 0.046325\n7.850909 0.000000 0.000000\n0.000000 -2.855351 -6.274157\nLi Mn C O\n4 2 4 12\ndirect\n0.387575 0.415880 0.262888 Li\n0.612425 0.915880 0.237111 Li\n0.387576 0.084120 0.762888 Li\n0.612425 0.584120 0.737112 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.821987 0.264035 0.146606 C\n0.178014 0.764035 0.353393 C\n0.821987 0.235965 0.646607 C\n0.178014 0.735965 0.853393 C\n0.934360 0.733763 0.866896 O\n0.065641 0.233763 0.633104 O\n0.723707 0.103413 0.703563 O\n0.324349 0.622364 0.402286 O\n0.675651 0.377636 0.597714 O\n0.675651 0.122364 0.097714 O\n0.934360 0.766237 0.366896 O\n0.065640 0.266237 0.133103 O\n0.723707 0.396587 0.203563 O\n0.276294 0.603413 0.796437 O\n0.276293 0.896587 0.296437 O\n0.324350 0.877636 0.902286 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "C-Li-Mn-O",
"density": 2.4858158195160858,
"density_atomic": 0.08720140844176283,
"volume": 252.28950303816052,
"volume_molar": 6.9060131798465925,
"formula_full": "Li4 Mn2 C4 O12",
"formula_reduced": "Li2Mn(CO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 14
},
{
"id": "jvasp-48112",
"created_at": "2022-09-04T14:36:20.639443Z",
"updated_at": "2022-09-04T14:36:20.639473Z",
"structure_string": "Li1 Mn2 B2 O6\n1.0\n5.143232 -0.003258 -0.074782\n-2.563059 4.554459 0.008929\n-2.225093 -1.423151 5.112395\nLi Mn B O\n1 2 2 6\ndirect\n0.449379 0.397311 0.666412 Li\n0.830516 0.224435 0.243777 Mn\n0.146907 0.764251 0.741929 Mn\n0.182248 0.907848 0.256657 B\n0.818059 0.087780 0.746298 B\n0.025599 0.680884 0.365482 O\n0.336689 0.856292 0.123422 O\n0.213628 0.179798 0.298502 O\n0.782492 0.810230 0.724427 O\n0.620763 0.138205 0.830346 O\n0.028456 0.318967 0.671273 O\n",
"nsites": 11,
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"elements": [
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],
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"density": 3.2782776331021193,
"density_atomic": 0.0926330492882942,
"volume": 118.74811511133144,
"volume_molar": 6.501071492592009,
"formula_full": "Li1 Mn2 B2 O6",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.391910059038662,
"spacegroup": 1
},
{
"id": "jvasp-42259",
"created_at": "2022-09-04T14:36:17.661900Z",
"updated_at": "2022-09-04T14:36:17.661926Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.276435 0.004461 -0.018457\n0.021726 5.714264 -0.053793\n-0.020645 1.373805 7.768086\nLi Mn B O\n2 4 4 12\ndirect\n0.343810 0.049128 0.257847 Li\n0.656189 0.950872 0.742154 Li\n0.177070 0.194625 0.559984 Mn\n0.294838 0.348949 0.916390 Mn\n0.705161 0.651050 0.083611 Mn\n0.822929 0.805375 0.440017 Mn\n0.824474 0.151685 0.096629 B\n0.676093 0.321851 0.418305 B\n0.323906 0.678149 0.581695 B\n0.175524 0.848315 0.903372 B\n0.197430 0.861173 0.472859 O\n0.575304 0.692449 0.614642 O\n0.184122 0.488338 0.666482 O\n0.672859 0.333631 0.010755 O\n0.327140 0.666369 0.989246 O\n0.081477 0.169425 0.104662 O\n0.424695 0.307551 0.385359 O\n0.802569 0.138827 0.527141 O\n0.305243 0.045349 0.810835 O\n0.694756 0.954651 0.189166 O\n0.815877 0.511662 0.333519 O\n0.918522 0.830574 0.895338 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Li-Mn-O",
"density": 3.3187270215966267,
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"volume": 234.60157295807238,
"volume_molar": 6.421834976686006,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 2
}
]
}