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{
"id": "jvasp-44662",
"created_at": "2022-09-04T14:38:10.674527Z",
"updated_at": "2022-09-04T14:38:10.674551Z",
"structure_string": "Li4 Mn6 O12\n1.0\n4.894418 0.025044 -0.000000\n2.456448 4.269128 -0.000000\n0.000000 0.000000 9.992312\nLi Mn O\n4 6 12\ndirect\n0.500000 0.157971 0.750000 Li\n0.500001 0.342028 0.250000 Li\n0.500001 0.657972 0.750000 Li\n0.500001 0.842028 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.324937 0.337531 0.000000 Mn\n0.324937 0.837531 0.500000 Mn\n0.675064 0.162469 0.500000 Mn\n0.675065 0.662469 0.000000 Mn\n0.661408 0.335138 0.893079 O\n0.661408 0.003453 0.106921 O\n0.338593 0.664861 0.106921 O\n0.338593 0.496546 0.606921 O\n0.338593 0.164861 0.393080 O\n0.000000 0.168526 0.603493 O\n0.338593 -0.003454 0.893079 O\n0.000000 0.668526 0.896507 O\n0.000000 0.331474 0.103492 O\n0.661408 0.503453 0.393080 O\n0.000000 0.831474 0.396507 O\n0.661408 0.835138 0.606921 O\n",
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{
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"updated_at": "2022-09-04T14:38:11.711150Z",
"structure_string": "Li1 Fe2 O3\n1.0\n2.990320 -0.000000 -0.000000\n-1.495159 2.589487 0.000106\n-0.000000 -0.000060 7.332072\nLi Fe O\n1 2 3\ndirect\n0.999988 0.000000 0.500000 Li\n0.333333 0.666702 0.177602 Fe\n0.666632 0.333299 0.822398 Fe\n0.333344 0.666657 0.675707 O\n-0.000003 0.000000 0.000000 O\n0.666686 0.333344 0.324293 O\n",
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{
"id": "jvasp-21802",
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"updated_at": "2022-09-04T14:38:20.550665Z",
"structure_string": "Tb2 Be26\n1.0\n6.243515 -0.000000 3.604695\n2.081172 5.886442 3.604695\n-0.000000 -0.000000 7.209390\nTb Be\n2 26\ndirect\n0.749999 0.750000 0.749999 Tb\n0.250000 0.250000 0.250000 Tb\n0.062899 0.289729 0.710270 Be\n0.710270 0.937100 0.062899 Be\n0.937100 0.710270 0.289729 Be\n0.210270 0.562899 0.437100 Be\n0.562899 0.437100 0.210270 Be\n0.437100 0.210270 0.562899 Be\n0.210270 0.437100 0.789729 Be\n0.210270 0.789729 0.562899 Be\n0.789729 0.437100 0.562899 Be\n0.289729 0.710270 0.062899 Be\n0.289729 0.937100 0.710270 Be\n0.937100 0.062899 0.710270 Be\n0.000000 0.000000 0.000000 Be\n0.710270 0.289729 0.937100 Be\n0.062899 0.937100 0.289729 Be\n0.937100 0.289729 0.062899 Be\n0.789729 0.562899 0.210270 Be\n0.562899 0.789729 0.437100 Be\n0.562899 0.210270 0.789729 Be\n0.437100 0.789729 0.210270 Be\n0.789729 0.210270 0.437100 Be\n0.437100 0.562899 0.789729 Be\n0.289729 0.062899 0.937100 Be\n0.500000 0.500000 0.500000 Be\n0.062899 0.710270 0.937100 Be\n0.710270 0.062899 0.289729 Be\n",
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"volume": 264.9601423651289,
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{
"id": "jvasp-111688",
"created_at": "2022-09-04T14:38:37.938676Z",
"updated_at": "2022-09-04T14:38:37.938700Z",
"structure_string": "Tm4 Ni4 B16\n1.0\n3.407293 0.000000 0.000000\n0.000000 5.861359 0.000000\n0.000000 0.000000 11.371729\nTm Ni B\n4 4 16\ndirect\n0.000000 0.627146 0.349723 Tm\n0.000000 0.372855 0.650277 Tm\n0.000000 0.127145 0.150277 Tm\n0.000000 0.872855 0.849723 Tm\n0.000000 0.634545 0.088951 Ni\n0.000000 0.365455 0.911049 Ni\n0.000000 0.134545 0.411049 Ni\n0.000000 0.865455 0.588951 Ni\n0.500000 0.022369 0.691842 B\n0.500000 0.977631 0.308158 B\n0.500000 0.613575 0.952369 B\n0.500000 0.386425 0.047631 B\n0.500000 0.113575 0.547631 B\n0.500000 0.886425 0.452369 B\n0.500000 0.637003 0.532686 B\n0.500000 0.714446 0.685200 B\n0.500000 0.137003 0.967314 B\n0.500000 0.862997 0.032686 B\n0.500000 0.477631 0.191842 B\n0.500000 0.285554 0.314800 B\n0.500000 0.214446 0.814800 B\n0.500000 0.785554 0.185200 B\n0.500000 0.362997 0.467314 B\n0.500000 0.522369 0.808158 B\n",
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{
"id": "jvasp-95153",
"created_at": "2022-09-04T14:36:35.861884Z",
"updated_at": "2022-09-04T14:36:35.861901Z",
"structure_string": "H16 S4 O20\n1.0\n6.672251 0.000000 -1.037207\n0.000000 7.326861 0.000000\n1.085710 0.000000 7.574319\nH S O\n16 4 20\ndirect\n0.407580 0.166470 0.731673 H\n0.786221 0.092488 0.235277 H\n0.921593 0.163233 0.411437 H\n0.078407 0.663233 0.088562 H\n0.219315 0.812362 0.190672 H\n0.213779 0.592488 0.264723 H\n0.213779 0.907512 0.764723 H\n0.780685 0.312362 0.309328 H\n0.078407 0.836767 0.588562 H\n0.786221 0.407512 0.735277 H\n0.780685 0.187638 0.809328 H\n0.921593 0.336767 0.911437 H\n0.407580 0.333530 0.231673 H\n0.592420 0.833530 0.268327 H\n0.592420 0.666470 0.768327 H\n0.219315 0.687638 0.690672 H\n0.753987 0.653355 0.430908 S\n0.246012 0.153355 0.069092 S\n0.246012 0.346645 0.569092 S\n0.753987 0.846645 0.930908 S\n0.205638 0.824751 0.660131 O\n0.794362 0.324751 0.839869 O\n0.080451 0.280977 0.058469 O\n0.919549 0.780976 0.441531 O\n0.919549 0.719023 0.941531 O\n0.080451 0.219023 0.558469 O\n0.435616 0.266709 0.118975 O\n0.564383 0.766709 0.381025 O\n0.564383 0.733291 0.881025 O\n0.435616 0.233291 0.618975 O\n0.784235 0.517617 0.293132 O\n0.784235 0.982383 0.793132 O\n0.215765 0.482383 0.706868 O\n0.298059 0.430382 0.401272 O\n0.701941 0.930382 0.098728 O\n0.701941 0.569618 0.598728 O\n0.298059 0.069618 0.901272 O\n0.205638 0.675249 0.160131 O\n0.215765 0.017617 0.206868 O\n0.794362 0.175249 0.339869 O\n",
"nsites": 40,
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},
{
"id": "jvasp-10308",
"created_at": "2022-09-04T14:37:12.971534Z",
"updated_at": "2022-09-04T14:37:12.971551Z",
"structure_string": "Zn2 Co4 O8\n1.0\n2.785531 -0.000011 0.571413\n1.320780 6.739012 0.637338\n0.000443 0.279372 7.073457\nZn Co O\n2 4 8\ndirect\n0.370199 0.104627 0.155180 Zn\n0.625281 0.872412 0.877047 Zn\n0.637420 0.177199 0.548070 Co\n0.149117 0.498283 0.203564 Co\n0.846346 0.478764 0.828669 Co\n0.358043 0.799854 0.484162 Co\n0.847957 0.680076 0.624100 O\n0.459143 0.327312 0.754504 O\n0.536321 0.649738 0.277726 O\n0.147506 0.296976 0.408133 O\n0.162670 0.004591 0.670134 O\n0.789838 0.338473 0.081964 O\n0.832797 0.972460 0.362097 O\n0.205627 0.638569 0.950269 O\n",
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],
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"formula_full": "Zn2 Co4 O8",
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"spacegroup": 12
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{
"id": "jvasp-119365",
"created_at": "2022-09-04T14:38:31.487438Z",
"updated_at": "2022-09-04T14:38:31.487470Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.957417 -0.003439 2.829592\n1.641393 4.677801 2.829592\n-0.004855 -0.003439 5.708112\nLi Mn Fe O\n2 3 1 8\ndirect\n0.123708 0.123707 0.123707 Li\n0.876294 0.876292 0.876291 Li\n0.500001 -0.000000 0.499999 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.500000 0.499999 Fe\n0.261444 0.261443 0.261443 O\n0.712252 0.261584 0.261584 O\n0.261585 0.261584 0.712251 O\n0.261585 0.712251 0.261584 O\n0.738417 0.287748 0.738415 O\n0.738416 0.738415 0.287748 O\n0.287749 0.738415 0.738415 O\n0.738557 0.738556 0.738556 O\n",
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{
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"created_at": "2022-09-04T14:38:03.484491Z",
"updated_at": "2022-09-04T14:38:03.484519Z",
"structure_string": "Li2 Mn2 Fe2 O8\n1.0\n5.760646 -0.000000 -0.000000\n2.880323 4.954497 0.042614\n2.880323 1.691675 4.656940\nLi Mn Fe O\n2 2 2 8\ndirect\n0.122223 0.127777 0.127777 Li\n0.877778 0.872222 0.872222 Li\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.259070 0.265124 0.265124 O\n0.262632 0.259891 0.714844 O\n0.262632 0.714844 0.259891 O\n0.710680 0.265124 0.265124 O\n0.289320 0.734875 0.734875 O\n0.737368 0.740109 0.285156 O\n0.737368 0.285156 0.740108 O\n0.740930 0.734875 0.734875 O\n",
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{
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"created_at": "2022-09-04T14:37:10.491105Z",
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"structure_string": "Li4 Ti3 O8\n1.0\n2.923088 -5.093325 0.000000\n2.915919 5.058913 -0.024280\n0.000000 -3.385451 4.798451\nLi Ti O\n4 3 8\ndirect\n0.125001 0.875000 0.625000 Li\n0.125001 0.875000 0.125000 Li\n0.625001 0.875000 0.625000 Li\n0.625001 0.875000 0.125000 Li\n0.125000 0.375000 0.625000 Ti\n0.625001 0.375000 0.625000 Ti\n0.625001 0.375000 0.125000 Ti\n0.378608 0.135822 0.378608 O\n0.409445 0.149206 0.869880 O\n0.380120 0.600794 0.840555 O\n0.380120 0.600794 0.380119 O\n0.869881 0.149206 0.869880 O\n0.869881 0.149206 0.409445 O\n0.840556 0.600794 0.380119 O\n0.871393 0.614178 0.871392 O\n",
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{
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"updated_at": "2022-09-04T14:38:28.838776Z",
"structure_string": "Li6 Ni4 Sn2 O12\n1.0\n5.873405 0.002175 1.361734\n3.240652 5.799416 -0.597930\n0.000067 0.054989 6.658022\nLi Ni Sn O\n6 4 2 12\ndirect\n0.750220 0.833392 0.335060 Li\n0.249779 0.833279 0.331609 Li\n0.753466 0.500009 0.974805 Li\n0.243256 0.525991 0.981061 Li\n0.756740 0.140679 0.685605 Li\n0.246525 0.166658 0.691860 Li\n0.510563 0.984298 0.993158 Ni\n0.489438 0.682370 0.673508 Ni\n0.005651 0.990377 0.994001 Ni\n0.994349 0.676292 0.672665 Ni\n0.000000 0.333334 0.333333 Sn\n0.500002 0.333333 0.333332 Sn\n0.864748 0.095906 0.351027 O\n0.647976 0.229454 0.006755 O\n0.121245 0.225521 0.006405 O\n0.878758 0.441147 0.660260 O\n0.352024 0.437216 0.659910 O\n0.646937 0.895431 0.675084 O\n0.122147 0.893959 0.669230 O\n0.877852 0.772711 -0.002564 O\n0.353066 0.771236 0.991581 O\n0.628365 0.578036 0.330468 O\n0.135251 0.570765 0.315639 O\n0.371634 0.088633 0.336198 O\n",
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"formula_full": "Li6 Ni4 Sn2 O12",
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{
"id": "jvasp-58434",
"created_at": "2022-09-04T14:37:50.802067Z",
"updated_at": "2022-09-04T14:37:50.802084Z",
"structure_string": "Al4 Si2 O10\n1.0\n3.554431 0.000000 0.000000\n-1.777216 4.641022 0.000000\n0.000000 -0.000000 9.181571\nAl Si O\n4 2 10\ndirect\n0.135061 0.270121 0.432554 Al\n0.864938 0.729879 0.567446 Al\n0.135061 0.270121 0.067446 Al\n0.864938 0.729879 0.932554 Al\n0.183773 0.367547 0.750000 Si\n0.816225 0.632452 0.250000 Si\n0.312687 0.625375 0.589453 O\n0.687312 0.374624 0.410547 O\n0.687312 0.374624 0.089453 O\n0.312687 0.625375 0.910547 O\n0.054916 0.109834 0.617881 O\n0.945082 0.890166 0.382119 O\n0.739613 0.479228 0.750000 O\n0.260385 0.520772 0.250000 O\n0.054916 0.109834 0.882119 O\n0.945082 0.890166 0.117881 O\n",
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"formula_full": "Al4 Si2 O10",
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},
{
"id": "jvasp-116848",
"created_at": "2022-09-04T14:38:50.747828Z",
"updated_at": "2022-09-04T14:38:50.747853Z",
"structure_string": "Li2 Mn1 Ni3 O8\n1.0\n4.958009 -0.008321 2.804324\n1.631790 4.681793 2.804324\n-0.011733 -0.008321 5.696134\nLi Mn Ni O\n2 1 3 8\ndirect\n0.123424 0.123424 0.123423 Li\n0.876577 0.876576 0.876574 Li\n0.500001 0.500000 0.499999 Mn\n0.500000 0.000000 0.499999 Ni\n0.000000 0.500000 0.499999 Ni\n0.500000 0.500000 -0.000001 Ni\n0.262546 0.262546 0.262545 O\n0.264809 0.264808 0.710047 O\n0.710049 0.264808 0.264807 O\n0.264809 0.710048 0.264807 O\n0.735193 0.289952 0.735190 O\n0.289952 0.735192 0.735190 O\n0.735192 0.735192 0.289950 O\n0.737455 0.737454 0.737452 O\n",
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]
}