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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": "Cs2 Gd2 Mo4 O16\n1.0\n0.000000 5.155946 0.000000\n-0.084449 0.000000 8.245612\n9.757493 0.000000 -0.308396\nCs Gd Mo O\n2 2 4 16\ndirect\n0.985014 0.750000 0.500000 Cs\n0.014986 0.250000 0.500000 Cs\n0.003008 0.750000 0.000000 Gd\n0.996992 0.250000 0.000000 Gd\n0.522637 0.512701 0.192744 Mo\n0.522637 0.987299 0.807256 Mo\n0.477363 0.487299 0.807256 Mo\n0.477363 0.012701 0.192744 Mo\n0.251751 0.508307 0.065521 O\n0.251751 0.991693 0.934479 O\n0.748249 0.491693 0.934479 O\n0.748249 0.008307 0.065521 O\n0.751645 0.346274 0.189664 O\n0.751645 0.153726 0.810336 O\n0.248355 0.653726 0.810336 O\n0.248355 0.846274 0.189664 O\n0.385856 0.525103 0.357393 O\n0.385856 0.974897 0.642607 O\n0.614144 0.474897 0.642607 O\n0.614144 0.025103 0.357393 O\n0.722490 0.691944 0.178782 O\n0.722490 0.808056 0.821218 O\n0.277510 0.308056 0.821218 O\n0.277510 0.191944 0.178782 O\n",
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{
"id": "mp-1041845",
"created_at": "2022-09-04T14:41:14.948037Z",
"structure_string": "Mg8 Mn8 Si16 O48\n1.0\n5.334934 0.000000 0.000000\n0.000000 9.097246 0.000000\n0.000000 0.000000 18.664053\nMg Mn Si O\n8 8 16 48\ndirect\n0.616273 0.151039 0.374926 Mg\n0.383727 0.848961 0.625074 Mg\n0.616273 0.651039 0.125074 Mg\n0.116273 0.848961 0.125074 Mg\n0.883727 0.151039 0.874926 Mg\n0.383727 0.348961 0.874926 Mg\n0.116273 0.348961 0.374926 Mg\n0.883727 0.651039 0.625074 Mg\n0.380555 0.984458 0.876862 Mn\n0.619445 0.015542 0.123138 Mn\n0.880555 0.015542 0.623138 Mn\n0.119445 0.984458 0.376862 Mn\n0.380555 0.484458 0.623138 Mn\n0.619445 0.515542 0.376862 Mn\n0.880555 0.515542 0.876862 Mn\n0.119445 0.484458 0.123138 Mn\n0.559672 0.660922 0.771049 Si\n0.707980 0.836625 0.475919 Si\n0.792020 0.836625 0.975919 Si\n0.940328 0.160922 0.228951 Si\n0.059672 0.339078 0.728951 Si\n0.440328 0.839078 0.271049 Si\n0.207980 0.663375 0.475919 Si\n0.707980 0.336625 0.024081 Si\n0.792020 0.336625 0.524081 Si\n0.940328 0.660922 0.271049 Si\n0.440328 0.339078 0.228951 Si\n0.559672 0.160922 0.728951 Si\n0.292020 0.163375 0.524081 Si\n0.059672 0.839078 0.771049 Si\n0.292020 0.663375 0.975919 Si\n0.207980 0.163375 0.024081 Si\n0.943523 0.502566 0.310221 O\n0.285930 0.012886 0.064403 O\n0.056477 0.497434 0.689779 O\n0.707555 0.336325 0.936342 O\n0.207555 0.163675 0.936342 O\n0.919975 0.211542 0.051169 O\n0.944101 0.664708 0.183595 O\n0.055899 0.835292 0.683595 O\n0.707555 0.836325 0.563658 O\n0.944101 0.164708 0.316405 O\n0.443523 0.497434 0.189779 O\n0.792445 0.336325 0.436342 O\n0.714070 0.987114 0.935597 O\n0.444101 0.835292 0.183595 O\n0.556477 0.002566 0.689779 O\n0.285930 0.512886 0.435597 O\n0.443523 0.997434 0.310221 O\n0.169552 0.768275 0.301266 O\n0.330448 0.768275 0.801266 O\n0.580025 0.711542 0.948831 O\n0.792445 0.836325 0.063658 O\n0.555899 0.664708 0.683595 O\n0.785930 0.487114 0.064403 O\n0.169552 0.268275 0.198734 O\n0.292445 0.163675 0.436342 O\n0.555899 0.164708 0.816405 O\n0.714070 0.487114 0.564403 O\n0.207555 0.663675 0.563658 O\n0.214070 0.512886 0.935597 O\n0.669552 0.731725 0.301266 O\n0.056477 0.997434 0.810221 O\n0.830448 0.731725 0.801266 O\n0.830448 0.231725 0.698734 O\n0.785930 0.987114 0.435597 O\n0.292445 0.663675 0.063658 O\n0.214070 0.012886 0.564403 O\n0.330448 0.268275 0.698734 O\n0.080025 0.788458 0.948831 O\n0.419975 0.788458 0.448831 O\n0.669552 0.231725 0.198734 O\n0.419975 0.288458 0.051169 O\n0.580025 0.211542 0.551169 O\n0.080025 0.288458 0.551169 O\n0.444101 0.335292 0.316405 O\n0.556477 0.502566 0.810221 O\n0.919975 0.711542 0.448831 O\n0.055899 0.335292 0.816405 O\n0.943523 0.002566 0.189779 O\n",
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{
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{
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"spacegroup": 123
},
{
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"structure_string": "Na8 Zn2 Se6\n1.0\n3.661546 6.946393 0.000000\n-3.661546 6.946393 0.000000\n0.000000 3.888625 9.211888\nNa Zn Se\n8 2 6\ndirect\n0.234900 0.806776 0.600080 Na\n0.603533 0.268689 0.790436 Na\n0.268689 0.603533 0.290436 Na\n0.806776 0.234900 0.100080 Na\n0.770669 0.456815 0.377666 Na\n0.047664 0.375887 0.694879 Na\n0.456815 0.770669 0.877666 Na\n0.375887 0.047664 0.194879 Na\n0.002430 0.702455 0.001988 Zn\n0.702455 0.002430 0.501988 Zn\n0.012262 0.016746 0.855094 Se\n0.016746 0.012262 0.355094 Se\n0.431994 0.349638 0.551496 Se\n0.349638 0.431994 0.051496 Se\n0.671728 0.695221 0.584495 Se\n0.695221 0.671728 0.084495 Se\n",
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"density_atomic": 0.03414424334747701,
"volume": 468.60022162952026,
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"formula_full": "Na8 Zn2 Se6",
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"updated_at": "2021-11-28T01:35:14.313000Z",
"spacegroup": 9
},
{
"id": "mp-1112525",
"created_at": "2022-09-04T14:41:17.121772Z",
"structure_string": "Cs2 Rb1 Al1 Cl6\n1.0\n0.000000 5.498424 5.498424\n5.498424 0.000000 5.498424\n5.498424 5.498424 0.000000\nCs Rb Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.786099 0.213901 0.213901 Cl\n0.213901 0.213901 0.786099 Cl\n0.213901 0.786099 0.786099 Cl\n0.213901 0.786099 0.213901 Cl\n0.786099 0.213901 0.786099 Cl\n0.786099 0.786099 0.213901 Cl\n",
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"formula_full": "Cs2 Rb1 Al1 Cl6",
"formula_reduced": "Cs2RbAlCl6",
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"updated_at": "2021-11-28T01:35:29.055000Z",
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}
]
}