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{
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{
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"spacegroup": 221
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{
"id": "mp-555098",
"created_at": "2022-09-04T14:43:38.305472Z",
"structure_string": "Sr4 Se4 O12\n1.0\n4.497798 0.000000 0.000000\n0.000000 5.580901 0.000000\n0.000000 0.000000 12.763398\nSr Se O\n4 4 12\ndirect\n0.522776 0.250000 0.651332 Sr\n0.977224 0.250000 0.151332 Sr\n0.477224 0.750000 0.348668 Sr\n0.022776 0.750000 0.848668 Sr\n0.496925 0.250000 0.921136 Se\n0.996925 0.750000 0.578864 Se\n0.003075 0.250000 0.421136 Se\n0.503075 0.750000 0.078864 Se\n0.971532 0.010634 0.335303 O\n0.971532 0.489366 0.335303 O\n0.121081 0.250000 0.947775 O\n0.378919 0.250000 0.447775 O\n0.028468 0.989366 0.664697 O\n0.528468 0.489366 0.835303 O\n0.621081 0.750000 0.552225 O\n0.528468 0.010634 0.835303 O\n0.878919 0.750000 0.052225 O\n0.028468 0.510634 0.664697 O\n0.471532 0.989366 0.164697 O\n0.471532 0.510634 0.164697 O\n",
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"formula_full": "Sr4 Se4 O12",
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{
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{
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"created_at": "2022-09-04T14:43:38.548232Z",
"structure_string": "Tb2 Al2 B28\n1.0\n-2.956952 4.133962 5.241883\n2.956952 -4.133962 5.241883\n2.956952 4.133962 -5.241883\nTb Al B\n2 2 28\ndirect\n0.598900 0.250000 0.348900 Tb\n0.401100 0.750000 0.651100 Tb\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.633783 0.667430 0.966353 B\n0.366217 0.332570 0.033647 B\n0.201077 0.167430 0.033647 B\n0.798923 0.832570 0.966353 B\n0.770161 0.143444 0.626717 B\n0.229839 0.856556 0.373283 B\n0.016726 0.643444 0.373283 B\n0.983274 0.356556 0.626717 B\n0.923589 0.090134 0.833455 B\n0.076411 0.909866 0.166545 B\n0.756679 0.590134 0.166545 B\n0.243321 0.409866 0.833455 B\n0.398252 0.398009 0.675697 B\n0.601748 0.277445 0.999757 B\n0.222313 0.898009 0.999757 B\n0.777687 0.777445 0.675697 B\n0.601748 0.601991 0.324303 B\n0.398252 0.722555 0.000243 B\n0.777687 0.101991 0.000243 B\n0.222313 0.222555 0.324303 B\n0.031368 0.831786 0.703814 B\n0.968632 0.672446 0.800418 B\n0.627972 0.331786 0.800418 B\n0.372028 0.172446 0.703814 B\n0.968632 0.168214 0.296186 B\n0.031368 0.327554 0.199582 B\n0.372028 0.668214 0.199582 B\n0.627972 0.827554 0.296186 B\n",
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{
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"structure_string": "Yb2 Ga12 Te20\n1.0\n7.332706 7.428349 0.000000\n-7.332706 7.428349 0.000000\n0.000000 0.012322 10.404839\nYb Ga Te\n2 12 20\ndirect\n0.997156 0.741968 0.255105 Yb\n0.258032 0.002844 0.744895 Yb\n0.159078 0.429207 0.124488 Ga\n0.430946 0.128669 0.160475 Ga\n0.344760 0.747326 0.169592 Ga\n0.659726 0.831102 0.252663 Ga\n0.745954 0.170402 0.337336 Ga\n0.126812 0.162937 0.426897 Ga\n0.837063 0.873188 0.573103 Ga\n0.829598 0.254046 0.662664 Ga\n0.168898 0.340274 0.747337 Ga\n0.252674 0.655240 0.830408 Ga\n0.871331 0.569054 0.839525 Ga\n0.570793 0.840922 0.875512 Ga\n0.170315 0.829685 0.000000 Te\n0.570394 0.670195 0.068733 Te\n0.917429 0.499970 0.083148 Te\n0.829061 0.996514 0.168815 Te\n0.172670 0.172012 0.171006 Te\n0.562878 0.318792 0.252423 Te\n0.247899 0.568302 0.318488 Te\n0.431195 0.931183 0.327589 Te\n0.929452 0.326656 0.431271 Te\n0.752647 0.679270 0.434132 Te\n0.081853 0.918147 0.500000 Te\n0.320730 0.247353 0.565868 Te\n0.673344 0.070548 0.568729 Te\n0.068817 0.568805 0.672411 Te\n0.431698 0.752101 0.681512 Te\n0.681208 0.437122 0.747577 Te\n0.003486 0.170939 0.831185 Te\n0.827988 0.827330 0.828994 Te\n0.500030 0.082571 0.916852 Te\n0.329805 0.429606 0.931267 Te\n",
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"formula_full": "Cs10 Co10 F40",
"formula_reduced": "CsCoF4",
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"spacegroup": 120
},
{
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"created_at": "2022-09-04T14:43:38.365406Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n-1.681667 5.626458 0.004720\n5.198170 1.552112 -2.437856\n-3.697832 -1.111577 -7.753144\nLi Ti Cr O\n4 2 6 16\ndirect\n0.249981 0.750077 0.249994 Li\n0.749993 0.250123 0.750122 Li\n0.750080 0.750205 0.250182 Li\n0.250057 0.249749 0.749904 Li\n0.999560 0.995635 0.000494 Ti\n0.500519 0.504918 0.499516 Ti\n0.750132 0.749935 0.749892 Cr\n0.749790 0.250061 0.249892 Cr\n0.250018 0.749797 0.750078 Cr\n0.000058 0.498455 0.500295 Cr\n0.499927 0.000954 0.999663 Cr\n0.249970 0.250146 0.249947 Cr\n0.000256 0.484709 0.271393 O\n0.499993 0.984257 0.770654 O\n0.999969 0.515565 0.729356 O\n0.499686 0.015367 0.228644 O\n0.000363 0.984432 0.773209 O\n0.499941 0.485944 0.272802 O\n0.999919 0.014346 0.227223 O\n0.499820 0.515484 0.726806 O\n0.244445 0.717979 0.513343 O\n0.746065 0.216007 0.013248 O\n0.754462 0.718091 0.513198 O\n0.256961 0.215628 0.014384 O\n0.243057 0.284272 0.485583 O\n0.745573 0.781919 0.986711 O\n0.753846 0.283999 0.486604 O\n0.255560 0.781947 0.986864 O\n",
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"formula_full": "Li4 Ti2 Cr6 O16",
"formula_reduced": "Li2TiCr3O8",
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},
{
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"structure_string": "Sr2 Ca2 Co2 P4 O16\n1.0\n5.720880 0.000000 0.000000\n-1.044078 6.867052 0.000000\n-1.926589 -3.503590 8.628185\nSr Ca Co P O\n2 2 2 4 16\ndirect\n0.206151 0.749365 0.058875 Sr\n0.793849 0.250635 0.941125 Sr\n0.338196 0.756118 0.659670 Ca\n0.661804 0.243882 0.340330 Ca\n0.083106 0.289142 0.561766 Co\n0.916894 0.710858 0.438234 Co\n0.168227 0.191993 0.225726 P\n0.831773 0.808007 0.774274 P\n0.540526 0.735377 0.298971 P\n0.459474 0.264623 0.701029 P\n0.961466 0.680203 0.878865 O\n0.455325 0.285835 0.166303 O\n0.891501 0.039502 0.760944 O\n0.267367 0.406004 0.690750 O\n0.544675 0.714165 0.833697 O\n0.419690 0.133927 0.598309 O\n0.580310 0.866073 0.401691 O\n0.400775 0.130476 0.870273 O\n0.108499 0.960498 0.239056 O\n0.599225 0.869524 0.129727 O\n0.038534 0.319797 0.121135 O\n0.037776 0.201466 0.389088 O\n0.962224 0.798534 0.610912 O\n0.262094 0.593933 0.373503 O\n0.732633 0.593996 0.309250 O\n0.737906 0.406067 0.626497 O\n",
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]
}