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{
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{
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{
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n-2.949126 0.000000 0.000000\n1.356556 9.742603 0.000000\n-0.086039 -0.681140 -10.062032\nLi Mn Co O\n9 2 5 16\ndirect\n0.129400 0.242938 0.195762 Li\n0.885069 0.762409 0.311734 Li\n0.622697 0.246919 0.441291 Li\n0.364066 0.752574 0.560988 Li\n0.123547 0.255451 0.685155 Li\n0.855664 0.745680 0.808906 Li\n0.620447 0.245784 0.931492 Li\n0.389699 0.754216 0.066366 Li\n0.488528 0.989972 0.247633 Li\n0.004850 0.997250 0.007441 Mn\n0.751287 0.496301 0.125292 Mn\n0.250100 0.495478 0.385107 Co\n0.997338 0.001602 0.488505 Co\n0.750768 0.506225 0.633402 Co\n0.505548 0.007155 0.745767 Co\n0.244956 0.501889 0.869425 Co\n0.555360 0.108451 0.082558 O\n0.298598 0.602851 0.212813 O\n0.053272 0.114227 0.361153 O\n0.802977 0.615573 0.465446 O\n0.600225 0.114467 0.592513 O\n0.304688 0.627796 0.713593 O\n0.069829 0.113875 0.847377 O\n0.800859 0.610692 0.977763 O\n0.698133 0.383347 0.277277 O\n0.401089 0.885141 0.415119 O\n0.194514 0.383910 0.527820 O\n0.944473 0.895619 0.650242 O\n0.685619 0.380749 0.773212 O\n0.458613 0.893613 0.910359 O\n0.202684 0.386773 0.044798 O\n0.945101 0.881072 0.143692 O\n",
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{
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"structure_string": "La24 Al12 I21\n1.0\n4.330909 0.000000 0.000000\n2.166034 18.008834 0.000000\n2.152514 5.447980 24.865957\nLa Al I\n24 12 21\ndirect\n0.200992 0.899326 0.297718 La\n0.799008 0.100674 0.702282 La\n0.960749 0.302859 0.978277 La\n0.490608 0.738277 0.236982 La\n0.229197 0.128639 0.918728 La\n0.564910 0.588859 0.641019 La\n0.370937 0.780097 0.601972 La\n0.879507 0.742831 0.473941 La\n0.629063 0.219903 0.398028 La\n0.039251 0.697141 0.021723 La\n0.234941 0.514042 0.065365 La\n0.853655 0.427946 0.576864 La\n0.492362 0.953368 0.876704 La\n0.146345 0.572054 0.423136 La\n0.435090 0.411141 0.358981 La\n0.120493 0.257169 0.526059 La\n0.765059 0.485958 0.934635 La\n0.020420 0.095856 0.245448 La\n0.979580 0.904144 0.754552 La\n0.249675 0.438682 0.812355 La\n0.750325 0.561318 0.187645 La\n0.509392 0.261723 0.763018 La\n0.507638 0.046632 0.123296 La\n0.770803 0.871361 0.081272 La\n0.949735 0.256659 0.860655 Al\n0.449484 0.672479 0.117574 Al\n0.822400 0.366860 0.454173 Al\n0.786734 0.133603 0.821973 Al\n0.813024 0.941525 0.199475 Al\n0.213266 0.866397 0.178027 Al\n0.050265 0.743341 0.139345 Al\n0.576646 0.557624 0.523352 Al\n0.423354 0.442376 0.476648 Al\n0.550516 0.327521 0.882426 Al\n0.186976 0.058475 0.800525 Al\n0.177600 0.633140 0.545827 Al\n0.176232 0.546802 0.294698 I\n0.772566 0.832116 0.958446 I\n0.962271 0.578730 0.810428 I\n0.823768 0.453198 0.705302 I\n0.930485 0.109633 0.468866 I\n0.283859 0.799524 0.828596 I\n0.531013 0.376515 0.056996 I\n0.416266 0.057595 0.342651 I\n0.753954 0.735445 0.700651 I\n0.398770 0.132879 0.599372 I\n0.583734 0.942405 0.657349 I\n0.601230 0.867121 0.400628 I\n0.716141 0.200476 0.171404 I\n0.069515 0.890367 0.531134 I\n0.888259 0.705668 0.347885 I\n0.111741 0.294332 0.652115 I\n0.227434 0.167884 0.041554 I\n0.468987 0.623485 0.943004 I\n0.246046 0.264555 0.299349 I\n0.037729 0.421270 0.189572 I\n0.500000 0.000000 0.000000 I\n",
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{
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"formula_reduced": "U2Re2C3",
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},
{
"id": "mp-1205615",
"created_at": "2022-09-04T14:48:30.506467Z",
"structure_string": "La4 Co4 I2\n1.0\n2.028718 -3.513843 0.000000\n2.028718 3.513843 0.000000\n0.000000 0.000000 17.966629\nLa Co I\n4 4 2\ndirect\n0.000000 0.000000 0.104325 La\n0.000000 0.000000 0.895675 La\n0.000000 0.000000 0.604325 La\n0.000000 0.000000 0.395675 La\n0.333333 0.666667 0.499930 Co\n0.666667 0.333333 0.500070 Co\n0.666667 0.333333 0.999930 Co\n0.333333 0.666667 0.000070 Co\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n",
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"formula_full": "La4 Co4 I2",
"formula_reduced": "La2Co2I",
"formula_anonymous": "AB2C2",
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]
}