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{
"id": "jvasp-112509",
"created_at": "2022-09-04T14:38:41.927566Z",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.844587 -0.000000 0.000000\n0.000000 4.973810 -0.013460\n-0.000000 -0.194582 14.004377\nLi Mn Co O\n7 2 3 12\ndirect\n0.500001 0.498359 0.005376 Li\n-0.000000 0.341387 0.836499 Li\n0.500001 0.159006 0.668648 Li\n-0.000000 0.996596 0.494991 Li\n-0.000000 0.665391 0.171440 Li\n0.500001 0.846383 0.323162 Li\n0.500001 0.165598 0.170991 Li\n-0.000000 0.011332 0.004247 Mn\n0.500001 0.495278 0.499986 Mn\n-0.000000 0.663283 0.666721 Co\n-0.000000 0.330793 0.330182 Co\n0.500001 0.834768 0.832032 Co\n-0.000000 0.315106 0.073141 O\n0.500001 0.849952 0.072019 O\n-0.000000 0.697174 0.908652 O\n0.500001 0.528455 0.744928 O\n-0.000000 0.348546 0.580635 O\n-0.000000 0.020222 0.256636 O\n0.500001 0.191302 0.417147 O\n0.500001 0.141692 0.917238 O\n0.000000 -0.030295 0.751724 O\n0.500001 0.803925 0.587067 O\n-0.000000 0.642418 0.425314 O\n0.500001 0.483335 0.261225 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.848644 -0.000000 0.000000\n0.000000 4.918736 0.071595\n-0.000000 -0.356164 14.187849\nLi Mn Co O\n7 2 3 12\ndirect\n0.499999 0.838124 0.347721 Li\n0.499999 0.161877 0.652279 Li\n0.499999 0.500000 -0.000000 Li\n-0.000000 0.349457 0.355494 Li\n-0.000000 0.650545 0.644506 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.670313 0.167616 Mn\n-0.000000 0.329688 0.832384 Mn\n0.499999 0.169938 0.166116 Co\n0.499999 0.830063 0.833884 Co\n0.000000 0.000000 0.500000 Co\n-0.000000 0.996178 0.763985 O\n0.499999 0.503804 0.238549 O\n0.499999 0.845307 0.574238 O\n0.499999 0.166743 0.909057 O\n0.000000 0.003824 0.236015 O\n-0.000000 0.305573 0.578716 O\n-0.000000 0.661348 0.908182 O\n0.499999 0.154694 0.425762 O\n0.499999 0.496198 0.761451 O\n0.499999 0.833259 0.090942 O\n-0.000000 0.694428 0.421284 O\n-0.000000 0.338654 0.091818 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "jvasp-122017",
"created_at": "2022-09-04T14:38:54.468009Z",
"updated_at": "2022-09-04T14:38:54.468037Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.891269 -0.027549 0.467870\n0.719490 4.699467 1.471990\n0.018553 0.011913 8.545450\nLi Mn Co O\n7 2 3 12\ndirect\n0.244846 0.419006 0.090502 Li\n0.748360 0.586940 0.912385 Li\n0.251353 0.747495 0.742010 Li\n0.235763 0.082409 0.419059 Li\n0.761101 0.249205 0.262298 Li\n0.762795 0.915138 0.573852 Li\n0.000450 0.658876 0.341318 Li\n0.999196 0.000241 0.000700 Mn\n0.499900 0.827105 0.175207 Mn\n0.000331 0.335218 0.663262 Co\n0.499847 0.500816 0.498059 Co\n0.499633 0.166358 0.832914 Co\n0.863089 0.657184 0.116171 O\n0.135620 0.037101 0.192580 O\n0.633690 0.186133 0.037244 O\n0.129398 0.350683 0.870272 O\n0.135827 0.680001 0.547001 O\n0.605942 0.862376 0.368642 O\n0.630224 0.509752 0.702840 O\n0.365804 0.812505 0.963268 O\n0.869601 0.980974 0.797296 O\n0.369599 0.154889 0.631922 O\n0.392670 0.480558 0.290564 O\n0.864957 0.299037 0.470637 O\n",
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{
"id": "jvasp-47445",
"created_at": "2022-09-04T14:36:59.997461Z",
"updated_at": "2022-09-04T14:36:59.997477Z",
"structure_string": "Li7 Si2 Ni3 O12\n1.0\n-4.219873 -2.436344 -0.006364\n-4.217872 2.432878 -0.003182\n1.395631 0.805767 -9.448169\nLi Si Ni O\n7 2 3 12\ndirect\n0.673448 0.666668 0.996837 Li\n0.916665 0.666668 0.750000 Li\n0.835128 0.342764 0.502816 Li\n0.322108 0.342764 0.997184 Li\n0.159882 0.666668 0.503162 Li\n0.511223 0.990572 0.502816 Li\n0.998202 0.990573 0.997183 Li\n0.583388 0.333222 0.750000 Si\n0.249943 0.000112 0.750000 Si\n0.751375 -0.002751 0.250000 Ni\n0.081957 0.336085 0.250000 Ni\n0.416666 0.666667 0.250000 Ni\n0.252868 0.295519 0.644390 O\n0.795245 0.666668 0.370448 O\n0.712025 0.338357 0.138164 O\n0.951609 0.295520 0.855610 O\n0.511365 0.666668 0.644576 O\n0.881721 0.037815 0.644390 O\n0.449617 0.338357 0.361835 O\n0.321965 0.666668 0.855423 O\n0.038086 0.666667 0.129552 O\n0.580463 0.037815 0.855610 O\n0.383715 -0.005023 0.138164 O\n0.121307 -0.005023 0.361836 O\n",
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"formula_full": "Li7 Si2 Ni3 O12",
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{
"id": "jvasp-117314",
"created_at": "2022-09-04T14:38:26.525036Z",
"updated_at": "2022-09-04T14:38:26.525073Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n",
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{
"id": "jvasp-112767",
"created_at": "2022-09-04T14:38:43.683050Z",
"updated_at": "2022-09-04T14:38:43.683065Z",
"structure_string": "Li7 Si2 Ni3 O12\n1.0\n4.799199 0.000059 -0.814867\n-2.399525 4.211444 0.407211\n0.004136 -0.000034 9.579287\nLi Si Ni O\n7 2 3 12\ndirect\n0.583293 0.666575 0.750001 Li\n0.340290 0.666691 0.996758 Li\n0.826409 0.666701 0.503243 Li\n0.177597 0.342659 0.502743 Li\n0.665080 0.342676 0.997264 Li\n0.501549 0.990659 0.502718 Li\n0.989113 0.990677 0.997274 Li\n0.916571 0.333139 0.750000 Si\n0.250031 0.000050 0.750001 Si\n0.083356 0.666707 0.250000 Ni\n0.748818 -0.002372 0.249998 Ni\n0.417916 0.335834 0.250002 Ni\n0.618291 0.037641 0.855652 O\n0.461417 0.666664 0.370023 O\n0.705292 0.666749 0.129977 O\n0.177995 0.666593 0.644529 O\n0.988618 0.666616 0.855471 O\n0.049981 0.338063 0.137936 O\n0.788072 0.338005 0.362050 O\n0.378643 -0.004538 0.137961 O\n0.116776 -0.004597 0.362053 O\n0.247252 0.295574 0.855646 O\n0.919352 0.037625 0.644348 O\n0.548320 0.295559 0.644356 O\n",
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{
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"created_at": "2022-09-04T14:38:42.962582Z",
"updated_at": "2022-09-04T14:38:42.962607Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.847664 -0.074079 0.056779\n0.122016 4.919009 0.130511\n-0.307913 -0.183435 14.179189\nLi Mn Co O\n7 2 3 12\ndirect\n0.001080 0.332649 0.653457 Li\n0.498773 0.149062 0.357007 Li\n0.000000 0.000000 0.000000 Li\n0.501228 0.850938 0.642993 Li\n-0.001078 0.667352 0.346543 Li\n0.500000 0.500000 0.000000 Li\n0.000001 0.000000 0.500000 Li\n-0.000649 0.672200 0.832486 Mn\n0.000651 0.327801 0.167514 Mn\n0.499353 0.170800 0.833672 Co\n0.500649 0.829201 0.166328 Co\n0.500001 0.500000 0.500000 Co\n0.501234 0.493370 0.237535 O\n0.498767 0.506631 0.762465 O\n-0.000607 0.346953 0.425356 O\n0.500081 0.165476 0.090851 O\n0.998729 0.004169 0.763032 O\n0.499691 0.806425 0.421708 O\n0.000073 0.661043 0.091995 O\n0.500311 0.193575 0.578292 O\n0.001271 -0.004169 0.236968 O\n0.499921 0.834525 0.909149 O\n0.000609 0.653048 0.574644 O\n-0.000071 0.338958 0.908005 O\n",
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{
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"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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"created_at": "2022-09-04T14:38:41.062763Z",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n7.426132 -0.007126 1.313416\n6.884669 2.783672 1.313416\n0.035314 0.006852 9.521670\nLi Mn Co O\n7 2 3 12\ndirect\n0.918294 0.918290 0.749986 Li\n0.081708 0.081707 0.250015 Li\n0.249641 0.249640 0.743914 Li\n0.575709 0.575706 0.757293 Li\n0.750361 0.750357 0.256087 Li\n0.424293 0.424291 0.242708 Li\n0.000000 0.000000 0.000000 Li\n0.339304 0.339302 0.996420 Mn\n0.660698 0.660695 0.003581 Mn\n0.833451 0.833447 0.498484 Co\n0.166551 0.166550 0.501517 Co\n0.500001 0.499999 0.500000 Co\n0.869531 0.869527 0.114316 O\n0.790574 0.790570 0.888893 O\n0.957086 0.957082 0.391031 O\n0.130471 0.130470 0.885685 O\n0.448626 0.448623 0.879575 O\n0.623933 0.623931 0.393992 O\n0.289741 0.289739 0.391284 O\n0.042916 0.042915 0.608970 O\n0.209428 0.209427 0.111108 O\n0.376069 0.376067 0.606009 O\n0.710261 0.710258 0.608717 O\n0.551376 0.551374 0.120425 O\n",
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{
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"created_at": "2022-09-04T14:38:43.181898Z",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.066876 -0.005806 2.498686\n0.597610 6.037513 1.984208\n0.005388 -0.007348 6.403467\nLi Mn Co O\n7 2 3 12\ndirect\n0.582564 0.331184 0.169105 Li\n0.731124 0.018187 0.507587 Li\n0.922650 0.650661 0.837654 Li\n0.084022 0.335077 0.164318 Li\n0.257047 0.009539 0.495888 Li\n0.416278 0.655841 0.824318 Li\n0.340377 0.333268 0.666998 Li\n0.003886 0.008264 0.992682 Mn\n0.169880 0.657781 0.340021 Mn\n0.665041 0.664283 0.335423 Co\n0.833179 0.333048 0.666849 Co\n0.497186 0.002379 0.999141 Co\n0.955838 0.315689 0.913881 O\n0.861433 0.013148 0.766753 O\n0.030268 0.681163 0.097191 O\n0.194673 0.351433 0.418650 O\n0.360814 0.993099 0.773909 O\n0.529105 0.678397 0.103225 O\n0.714179 0.350285 0.425040 O\n0.296385 0.673198 0.558779 O\n0.480857 0.315886 0.908814 O\n0.637727 0.986489 0.233278 O\n0.804034 0.653323 0.567348 O\n0.131469 0.988359 0.233162 O\n",
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{
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"created_at": "2022-09-04T14:38:41.083542Z",
"updated_at": "2022-09-04T14:38:41.083573Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.847813 0.000000 0.000000\n-0.000000 7.268708 3.388489\n-0.000000 -0.058327 9.498512\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.319766 0.334711 Li\n0.000000 0.680234 0.665289 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.830788 0.829573 Li\n0.499999 0.169212 0.170427 Li\n0.499999 0.500000 0.500000 Li\n0.499999 -0.000000 0.500000 Li\n0.000000 0.158695 0.664741 Mn\n0.000000 0.841305 0.335259 Mn\n0.499999 0.665077 0.167908 Co\n0.499999 0.334922 0.832092 Co\n0.000000 0.500000 -0.000000 Co\n0.499999 0.564990 0.848747 O\n0.000000 0.930392 0.672615 O\n0.000000 0.269377 0.981853 O\n0.000000 0.598993 0.318892 O\n0.499999 0.435010 0.151253 O\n0.499999 0.756283 0.482542 O\n0.499999 0.099299 0.821419 O\n0.000000 0.730623 0.018147 O\n0.000000 0.069608 0.327385 O\n0.000000 0.401007 0.681108 O\n0.499999 0.243717 0.517458 O\n0.499999 0.900701 0.178581 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.440219985108538,
"density_atomic": 0.12171540074729517,
"volume": 197.18129220006156,
"volume_molar": 4.94772290361442,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.689442465948276,
"spacegroup": 10
},
{
"id": "jvasp-119589",
"created_at": "2022-09-04T14:38:53.972012Z",
"updated_at": "2022-09-04T14:38:53.972043Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n7.137852 -0.004376 2.363873\n6.573328 2.782139 2.363873\n0.030364 0.006152 9.959905\nLi Mn Co O\n7 2 3 12\ndirect\n0.162385 0.162385 0.255497 Li\n0.838279 0.838277 0.735944 Li\n0.499364 0.499363 0.277783 Li\n0.171955 0.171954 0.743627 Li\n0.833463 0.833461 0.256009 Li\n0.495027 0.495026 0.729077 Li\n-0.004938 -0.004938 0.503981 Li\n0.000480 0.000480 0.000268 Mn\n0.663077 0.663075 0.496559 Mn\n0.666743 0.666741 0.001167 Co\n0.336069 0.336068 0.501023 Co\n0.333771 0.333770 -0.001230 Co\n0.753181 0.753179 0.609531 O\n0.244457 0.244456 0.895597 O\n0.907412 0.907410 0.387177 O\n0.579795 0.579793 0.889596 O\n0.246740 0.246739 0.388568 O\n0.914905 0.914903 0.890074 O\n0.592436 0.592434 0.379386 O\n0.093179 0.093179 0.613704 O\n0.755905 0.755904 0.104652 O\n0.409812 0.409810 0.620545 O\n0.085810 0.085810 0.110796 O\n0.420705 0.420704 0.110670 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.424832028045584,
"density_atomic": 0.1212935857545964,
"volume": 197.86701704538012,
"volume_molar": 4.964929285035827,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6908082992816094,
"spacegroup": 8
}
]
}