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{
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{
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{
"id": "mp-684066",
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"structure_string": "Li4 Ti2 P10 O30\n1.0\n9.621627 0.000000 0.000000\n0.000000 5.333080 0.000000\n0.000000 4.341531 12.598783\nLi Ti P O\n4 2 10 30\ndirect\n0.603081 0.934708 0.937927 Li\n0.410569 0.055752 0.072167 Li\n0.396919 0.934708 0.437927 Li\n0.589431 0.055752 0.572167 Li\n0.995302 0.009834 0.995268 Ti\n0.004698 0.009834 0.495268 Ti\n0.477264 0.515786 0.862054 P\n0.987216 0.017559 0.245266 P\n0.012784 0.017559 0.745266 P\n0.823297 0.602059 0.406219 P\n0.184496 0.414594 0.586385 P\n0.522736 0.515786 0.362054 P\n0.520028 0.471589 0.143563 P\n0.176703 0.602059 0.906219 P\n0.479972 0.471589 0.643563 P\n0.815504 0.414594 0.086385 P\n0.139724 0.273478 0.509469 O\n0.881170 0.767994 0.289351 O\n0.420638 0.489236 0.753006 O\n0.938385 0.984229 0.650860 O\n0.343052 0.340739 0.607578 O\n0.661635 0.650765 0.394127 O\n0.142349 0.312360 0.932830 O\n0.061615 0.984229 0.150860 O\n0.839840 0.709406 0.052657 O\n0.506075 0.237777 0.436668 O\n0.408714 0.711442 0.349330 O\n0.591286 0.711442 0.849330 O\n0.885298 0.273575 0.201334 O\n0.504436 0.749236 0.069213 O\n0.495564 0.749236 0.569213 O\n0.128116 0.737973 0.983922 O\n0.160160 0.709406 0.552657 O\n0.857651 0.312360 0.432830 O\n0.405675 0.275469 0.157536 O\n0.933283 0.049041 0.837670 O\n0.338365 0.650765 0.894127 O\n0.066717 0.049041 0.337670 O\n0.860276 0.273478 0.009469 O\n0.493925 0.237777 0.936668 O\n0.656948 0.340739 0.107578 O\n0.594325 0.275469 0.657536 O\n0.114702 0.273575 0.701334 O\n0.579362 0.489236 0.253006 O\n0.118830 0.767994 0.789351 O\n0.871884 0.737973 0.483922 O\n",
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"formula_full": "Li4 Ti2 P10 O30",
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{
"id": "mp-1336703",
"created_at": "2022-09-04T14:43:15.734415Z",
"structure_string": "Al20 Bi12 Se48\n1.0\n7.911347 0.000000 0.000000\n0.000000 7.911347 0.000000\n0.000000 0.000000 37.767853\nAl Bi Se\n20 12 48\ndirect\n0.000000 0.000000 0.832943 Al\n0.000000 0.000000 0.167057 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.917096 Al\n0.000000 0.000000 0.582904 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.332943 Al\n0.000000 0.000000 0.667057 Al\n0.500000 0.500000 0.082646 Al\n0.500000 0.500000 0.417354 Al\n0.500000 0.500000 0.750000 Al\n0.500000 0.500000 0.333032 Al\n0.500000 0.500000 0.666968 Al\n0.500000 0.500000 0.833032 Al\n0.500000 0.500000 0.166968 Al\n0.000000 0.000000 0.082904 Al\n0.000000 0.000000 0.417096 Al\n0.500000 0.500000 0.917354 Al\n0.500000 0.500000 0.250000 Al\n0.500000 0.500000 0.582646 Al\n0.000000 0.500000 0.874853 Bi\n0.000000 0.500000 0.208681 Bi\n0.000000 0.500000 0.541677 Bi\n0.500000 0.000000 0.125147 Bi\n0.500000 0.000000 0.458323 Bi\n0.500000 0.000000 0.791319 Bi\n0.500000 0.000000 0.041677 Bi\n0.500000 0.000000 0.374853 Bi\n0.500000 0.000000 0.708681 Bi\n0.000000 0.500000 0.958323 Bi\n0.000000 0.500000 0.291319 Bi\n0.000000 0.500000 0.625147 Bi\n0.337313 0.668283 0.874575 Se\n0.336830 0.668705 0.208518 Se\n0.334285 0.661224 0.542203 Se\n0.338776 0.665715 0.042203 Se\n0.331717 0.662687 0.374575 Se\n0.331295 0.663170 0.708518 Se\n0.836926 0.831169 0.041605 Se\n0.836932 0.832529 0.375634 Se\n0.833321 0.841429 0.707772 Se\n0.662687 0.331717 0.874575 Se\n0.663170 0.331295 0.208518 Se\n0.665715 0.338776 0.542203 Se\n0.331717 0.337313 0.125425 Se\n0.338776 0.334285 0.457797 Se\n0.331295 0.336830 0.791482 Se\n0.168831 0.836926 0.958395 Se\n0.158571 0.833321 0.292228 Se\n0.167471 0.836932 0.624366 Se\n0.334285 0.338776 0.957797 Se\n0.336830 0.331295 0.291482 Se\n0.337313 0.331717 0.625425 Se\n0.832529 0.836932 0.875634 Se\n0.841429 0.833321 0.207772 Se\n0.831169 0.836926 0.541605 Se\n0.831169 0.163074 0.958395 Se\n0.841429 0.166679 0.292228 Se\n0.832529 0.163068 0.624366 Se\n0.668283 0.662687 0.125425 Se\n0.661224 0.665715 0.457797 Se\n0.668705 0.663170 0.791482 Se\n0.167471 0.163068 0.875634 Se\n0.158571 0.166679 0.207772 Se\n0.168831 0.163074 0.541605 Se\n0.661224 0.334285 0.042203 Se\n0.668283 0.337313 0.374575 Se\n0.668705 0.336830 0.708518 Se\n0.163074 0.168831 0.041605 Se\n0.163068 0.167471 0.375634 Se\n0.166679 0.158571 0.707772 Se\n0.836932 0.167471 0.124366 Se\n0.836926 0.168831 0.458395 Se\n0.833321 0.158571 0.792228 Se\n0.163068 0.832529 0.124366 Se\n0.163074 0.831169 0.458395 Se\n0.166679 0.841429 0.792228 Se\n0.665715 0.661224 0.957797 Se\n0.663170 0.668705 0.291482 Se\n0.662687 0.668283 0.625425 Se\n",
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"formula_full": "Al20 Bi12 Se48",
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{
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"structure_string": "Ti4 Cr4 Cu4 S16\n1.0\n3.412047 0.000000 0.000000\n0.000000 11.100345 0.000000\n0.000000 0.000000 12.446231\nTi Cr Cu S\n4 4 4 16\ndirect\n0.000000 0.800825 0.111677 Ti\n0.500000 0.199175 0.611677 Ti\n0.500000 0.663796 0.422127 Ti\n0.000000 0.336204 0.922127 Ti\n0.500000 0.697752 0.878622 Cr\n0.000000 0.302248 0.378622 Cr\n0.000000 0.836600 0.586507 Cr\n0.500000 0.163400 0.086507 Cr\n0.500000 0.481456 0.677997 Cu\n0.000000 0.026700 0.329165 Cu\n0.000000 0.518544 0.177997 Cu\n0.500000 0.973300 0.829165 Cu\n0.000000 0.688835 0.286656 S\n0.500000 0.811041 0.712455 S\n0.500000 0.311165 0.786656 S\n0.000000 0.188959 0.212455 S\n0.500000 0.649527 0.065420 S\n0.000000 0.846873 0.926285 S\n0.000000 0.350473 0.565420 S\n0.500000 0.153127 0.426285 S\n0.000000 0.626023 0.556496 S\n0.500000 0.872137 0.451057 S\n0.500000 0.373977 0.056496 S\n0.000000 0.127863 0.951057 S\n0.000000 0.557309 0.835413 S\n0.500000 0.946182 0.160122 S\n0.500000 0.442691 0.335413 S\n0.000000 0.053818 0.660122 S\n",
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{
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{
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{
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{
"id": "mp-1147645",
"created_at": "2022-09-04T14:43:06.646974Z",
"structure_string": "Ba4 Cu3 Se1 O6\n1.0\n-3.969027 3.969027 3.969027\n3.969027 -3.969027 3.969027\n3.969027 3.969027 -3.969027\nBa Cu Se O\n4 3 1 6\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.250000 O\n",
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{
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