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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": "H2 C12\n1.0\n2.464570 0.000000 0.000000\n-0.010386 3.754662 0.000000\n-0.996268 -1.558602 14.176672\nH C\n2 12\ndirect\n0.182433 0.252496 0.954645 H\n0.817567 0.747504 0.045355 H\n0.641160 0.056595 0.835871 C\n0.358840 0.943405 0.164129 C\n0.477774 0.420478 0.451859 C\n0.522226 0.579522 0.548141 C\n0.082576 0.817498 0.691848 C\n0.917424 0.182502 0.308152 C\n0.158693 0.131848 0.881452 C\n0.841307 0.868152 0.118548 C\n0.043281 0.658162 0.595746 C\n0.956719 0.341838 0.404254 C\n0.601686 0.896191 0.739155 C\n0.398314 0.103809 0.260845 C\n",
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{
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{
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"structure_string": "Na1 Sr1 La1 Fe1 O6\n1.0\n0.000000 -4.173878 -4.173878\n4.173878 -0.000000 -4.173878\n4.173878 -4.173878 0.000000\nNa Sr La Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 -0.000000 0.000000 Fe\n0.776188 0.223812 0.223812 O\n0.223812 0.776188 0.776188 O\n0.776188 0.223812 0.776188 O\n0.223812 0.776188 0.223812 O\n0.776188 0.776188 0.223812 O\n0.223812 0.223812 0.776188 O\n",
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"formula_full": "Na1 Sr1 La1 Fe1 O6",
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"updated_at": "2021-11-28T01:36:53.528000Z",
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},
{
"id": "mp-775959",
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"structure_string": "Li4 La28 Cu8 O56\n1.0\n6.571190 9.578184 0.000000\n-6.571190 9.578184 0.000000\n0.000000 5.900030 10.307537\nLi La Cu O\n4 28 8 56\ndirect\n0.285731 0.285731 0.070816 Li\n0.714269 0.714269 0.929184 Li\n0.571438 0.571438 0.642452 Li\n0.428562 0.428562 0.357548 Li\n0.350041 0.075330 0.925793 La\n0.075330 0.350041 0.925793 La\n0.005107 0.285559 0.281952 La\n0.290314 0.566388 0.857538 La\n0.285559 0.005107 0.281952 La\n0.134045 0.865955 0.000000 La\n0.865955 0.134045 0.000000 La\n0.566388 0.290314 0.857538 La\n0.214687 0.933841 0.648253 La\n0.066159 0.785313 0.351747 La\n0.495944 0.219322 0.214005 La\n0.924670 0.649959 0.074207 La\n0.780678 0.504056 0.785995 La\n0.933841 0.214687 0.648253 La\n0.219322 0.495944 0.214005 La\n0.785313 0.066158 0.351747 La\n0.649959 0.924670 0.074207 La\n0.504056 0.780678 0.785995 La\n0.419273 0.147496 0.575208 La\n0.852504 0.580727 0.424792 La\n0.433612 0.709686 0.142462 La\n0.580727 0.852504 0.424792 La\n0.147496 0.419273 0.575208 La\n0.709686 0.433612 0.142462 La\n0.994893 0.714441 0.718048 La\n0.714441 0.994893 0.718048 La\n0.639746 0.360254 0.500000 La\n0.360254 0.639746 0.500000 La\n0.214483 0.214483 0.428022 Cu\n0.071675 0.071675 0.143220 Cu\n0.928325 0.928325 0.856780 Cu\n0.000000 0.000000 0.500000 Cu\n0.357517 0.357516 0.714260 Cu\n0.785517 0.785517 0.571978 Cu\n0.642483 0.642483 0.285740 Cu\n0.500000 0.500000 0.000000 Cu\n0.321990 0.321990 0.888965 O\n0.253104 0.253104 0.749563 O\n0.328746 0.957866 0.783805 O\n0.957866 0.328746 0.783805 O\n0.319655 0.319655 0.394151 O\n0.032549 0.032549 0.822406 O\n0.249253 0.249253 0.252842 O\n0.176848 0.176848 0.107204 O\n0.106413 0.106413 0.968386 O\n0.887243 0.255517 0.144083 O\n0.255517 0.887243 0.144083 O\n0.313953 0.686047 0.000000 O\n0.686047 0.313953 0.000000 O\n0.112757 0.744483 0.855917 O\n0.744483 0.112757 0.855917 O\n0.893587 0.893587 0.031614 O\n0.750747 0.750747 0.747158 O\n0.823152 0.823152 0.892796 O\n0.179381 0.179381 0.602160 O\n0.035448 0.035448 0.321050 O\n0.107966 0.107966 0.464652 O\n0.967451 0.967451 0.177594 O\n0.105458 0.465661 0.072454 O\n0.820877 0.179123 0.500000 O\n0.042134 0.671254 0.216195 O\n0.608769 0.249553 0.356286 O\n0.179123 0.820877 0.500000 O\n0.465661 0.105458 0.072454 O\n0.671254 0.042134 0.216195 O\n0.534339 0.894542 0.927546 O\n0.249553 0.608769 0.356286 O\n0.894542 0.534339 0.927546 O\n0.678010 0.678010 0.111035 O\n0.534800 0.534800 0.825624 O\n0.892034 0.892034 0.535348 O\n0.746896 0.746896 0.250437 O\n0.604519 0.604519 0.965669 O\n0.964552 0.964552 0.678950 O\n0.820619 0.820619 0.397840 O\n0.542203 0.172102 0.714275 O\n0.827898 0.457797 0.285725 O\n0.970980 0.602235 0.570677 O\n0.397764 0.029020 0.429323 O\n0.172102 0.542203 0.714275 O\n0.602236 0.970980 0.570677 O\n0.457797 0.827898 0.285725 O\n0.029020 0.397764 0.429323 O\n0.607862 0.607862 0.460121 O\n0.537327 0.537327 0.321564 O\n0.395481 0.395481 0.034331 O\n0.680345 0.680345 0.605849 O\n0.465200 0.465200 0.174376 O\n0.391231 0.750447 0.643714 O\n0.750447 0.391231 0.643714 O\n0.392138 0.392138 0.539879 O\n0.462673 0.462673 0.678436 O\n",
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"elements": [
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],
"chemical_system": "Cu-La-Li-O",
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"formula_full": "Li4 La28 Cu8 O56",
"formula_reduced": "LiLa7(CuO7)2",
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"updated_at": "2021-11-28T01:36:46.776000Z",
"spacegroup": 12
}
]
}