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{
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{
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},
{
"id": "mp-1102652",
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"structure_string": "Eu4 Mg4 Si4\n1.0\n4.519188 0.000000 0.000000\n0.000000 7.563214 0.000000\n0.000000 0.000000 8.423383\nEu Mg Si\n4 4 4\ndirect\n0.250000 0.018132 0.314232 Eu\n0.250000 0.518132 0.185768 Eu\n0.750000 0.981868 0.685768 Eu\n0.750000 0.481868 0.814232 Eu\n0.250000 0.149656 0.934633 Mg\n0.250000 0.649656 0.565367 Mg\n0.750000 0.850344 0.065367 Mg\n0.750000 0.350344 0.434633 Mg\n0.250000 0.275319 0.611561 Si\n0.250000 0.775319 0.888439 Si\n0.750000 0.724681 0.388439 Si\n0.750000 0.224681 0.111561 Si\n",
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"formula_full": "Eu4 Mg4 Si4",
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{
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"structure_string": "Ni4 P4 C20 O8\n1.0\n0.662994 0.000000 7.098915\n10.536678 0.000000 0.164614\n0.000000 12.190615 0.000000\nNi P C O\n4 4 20 8\ndirect\n0.444661 0.238122 0.552432 Ni\n0.944661 0.738122 0.947568 Ni\n0.555339 0.761878 0.447568 Ni\n0.055339 0.261878 0.052432 Ni\n0.455331 0.449460 0.762766 P\n0.955331 0.949460 0.737234 P\n0.544669 0.550540 0.237234 P\n0.044669 0.050540 0.262766 P\n0.426389 0.369065 0.638691 C\n0.926389 0.869065 0.861309 C\n0.573611 0.630935 0.361309 C\n0.073611 0.130935 0.138691 C\n0.666882 0.342450 0.832436 C\n0.166882 0.842450 0.667564 C\n0.333118 0.657550 0.167564 C\n0.833118 0.157550 0.332436 C\n0.736424 0.414559 0.752716 C\n0.236424 0.914559 0.747284 C\n0.263576 0.585441 0.247284 C\n0.763576 0.085441 0.252716 C\n0.684398 0.540313 0.735958 C\n0.184398 0.040313 0.764042 C\n0.315602 0.459687 0.264042 C\n0.815602 0.959687 0.235958 C\n0.584026 0.990781 0.540004 C\n0.084026 0.490781 0.959996 C\n0.415974 0.009219 0.459996 C\n0.915974 0.509219 0.040004 C\n0.623102 0.089281 0.591137 O\n0.123102 0.589281 0.908863 O\n0.376898 0.910719 0.408863 O\n0.876898 0.410719 0.091137 O\n0.330354 0.120669 0.451429 O\n0.830354 0.620669 0.048571 O\n0.669646 0.879331 0.548571 O\n0.169646 0.379331 0.951429 O\n",
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"formula_full": "Ni4 P4 C20 O8",
"formula_reduced": "NiPC5O2",
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{
"id": "mp-1110689",
"created_at": "2022-09-04T14:43:06.626053Z",
"structure_string": "Rb2 Cu1 Mo1 Br6\n1.0\n0.000000 5.330216 5.330216\n5.330216 0.000000 5.330216\n5.330216 5.330216 0.000000\nRb Cu Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Mo\n0.752448 0.247552 0.247552 Br\n0.247552 0.247552 0.752448 Br\n0.247552 0.752448 0.752448 Br\n0.247552 0.752448 0.247552 Br\n0.752448 0.247552 0.752448 Br\n0.752448 0.752448 0.247552 Br\n",
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"elements": [
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{
"id": "mp-1021737",
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"structure_string": "Mg12 Ni2 Mo2\n1.0\n4.713478 0.000000 0.000000\n0.000000 5.871159 0.000000\n0.000000 0.000000 10.748221\nMg Ni Mo\n12 2 2\ndirect\n0.000000 0.738812 0.084790 Mg\n0.000000 0.261188 0.084790 Mg\n0.000000 0.000000 0.328506 Mg\n0.500000 0.257916 0.420943 Mg\n0.500000 0.742084 0.420943 Mg\n0.500000 0.000000 0.169556 Mg\n0.000000 0.238812 0.584790 Mg\n0.000000 0.761188 0.584790 Mg\n0.000000 0.500000 0.828506 Mg\n0.500000 0.757916 0.920943 Mg\n0.500000 0.242084 0.920943 Mg\n0.500000 0.500000 0.669556 Mg\n0.000000 0.500000 0.303263 Ni\n0.000000 0.000000 0.803263 Ni\n0.500000 0.500000 0.187211 Mo\n0.500000 0.000000 0.687211 Mo\n",
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"spacegroup": 38
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{
"id": "mp-558555",
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"structure_string": "Li4 Fe4 Se8 O24\n1.0\n-5.424287 5.424287 5.078467\n5.424287 -5.424287 5.078467\n5.424287 5.424287 -5.078467\nLi Fe Se O\n4 4 8 24\ndirect\n0.125000 0.439585 0.814585 Li\n0.560415 0.375000 0.685415 Li\n0.625000 0.310415 0.185415 Li\n0.689585 0.875000 0.314585 Li\n0.412444 0.875000 0.037444 Fe\n0.625000 0.587556 0.462556 Fe\n0.125000 0.162444 0.537444 Fe\n0.837556 0.375000 0.962556 Fe\n0.932729 0.713053 0.328986 Se\n0.963053 0.682729 0.828986 Se\n0.396258 0.067271 0.780325 Se\n0.865933 0.036947 0.719675 Se\n0.286947 0.615933 0.219675 Se\n0.853742 0.134067 0.171014 Se\n0.384067 0.603742 0.671014 Se\n0.317271 0.146258 0.280325 Se\n0.824856 0.461465 0.779677 O\n0.322203 0.163515 0.476503 O\n0.041088 0.249475 0.372368 O\n0.538535 0.318212 0.363391 O\n0.413515 0.072203 0.976503 O\n0.095700 0.437012 0.023497 O\n0.562988 0.586485 0.658688 O\n0.750525 0.122892 0.791612 O\n0.154300 0.677797 0.841312 O\n0.836485 0.312988 0.158688 O\n0.425144 0.704821 0.136609 O\n0.568212 0.288535 0.863391 O\n0.331280 0.958912 0.208388 O\n0.372892 0.500525 0.291612 O\n0.499475 0.791088 0.872368 O\n0.927797 0.904300 0.341312 O\n0.687012 0.845700 0.523497 O\n0.918720 0.627108 0.127632 O\n0.877108 0.668720 0.627632 O\n0.681788 0.045179 0.220323 O\n0.208912 0.081280 0.708388 O\n0.711465 0.574856 0.279677 O\n0.954821 0.175144 0.636609 O\n0.295179 0.431788 0.720323 O\n",
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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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{
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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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