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{
"id": "mp-1045465",
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{
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"structure_string": "Ca2 Cu4 O8\n1.0\n10.347407 0.000000 0.000000\n0.000000 3.382003 0.000000\n0.000000 0.010423 5.455675\nCa Cu O\n2 4 8\ndirect\n0.851027 0.492542 0.759817 Ca\n0.351027 0.507458 0.240183 Ca\n0.899443 0.993439 0.260837 Cu\n0.399443 0.006561 0.739163 Cu\n0.129664 0.004460 0.754616 Cu\n0.629664 0.995540 0.245384 Cu\n0.494226 0.000039 0.020678 O\n0.765348 0.990093 0.032210 O\n0.487004 0.005978 0.449769 O\n0.987004 0.994022 0.550231 O\n0.994226 0.999961 0.979322 O\n0.265348 0.009907 0.967790 O\n0.758856 0.990216 0.477384 O\n0.258856 0.009784 0.522616 O\n",
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{
"id": "mp-981367",
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"structure_string": "Sr1 Tl1 O3\n1.0\n4.279558 0.000000 0.000000\n0.000000 4.279558 0.000000\n0.000000 0.000000 4.279558\nSr Tl O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
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{
"id": "mp-1031738",
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"structure_string": "Hf1 Mg6 Co1 O8\n1.0\n8.850855 -0.000000 0.000000\n0.000000 4.337981 0.000000\n0.000000 0.000000 4.337981\nHf Mg Co O\n1 6 1 8\ndirect\n0.500000 0.000000 -0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.229032 0.000000 0.500000 Mg\n0.770968 0.000000 0.500000 Mg\n0.229032 0.500000 -0.000000 Mg\n0.770968 0.500000 0.000000 Mg\n0.000000 0.000000 -0.000000 Co\n0.266240 0.000000 0.000000 O\n0.733760 0.000000 -0.000000 O\n0.250381 0.500000 0.500000 O\n0.749619 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
"id": "mp-1246445",
"created_at": "2022-09-04T14:47:45.801117Z",
"structure_string": "Mg2 Mn2 Al2 S8\n1.0\n6.302268 -0.001777 3.638568\n2.126511 5.925224 3.591010\n0.017092 -0.046131 7.247496\nMg Mn Al S\n2 2 2 8\ndirect\n0.875269 0.874788 0.874588 Mg\n0.124749 0.125238 0.125409 Mg\n0.499978 0.499983 0.000033 Mn\n0.499912 0.999936 0.499979 Mn\n0.500023 0.500003 0.499978 Al\n0.000009 0.500002 0.500031 Al\n0.742993 0.736088 0.736123 S\n0.260935 0.264710 0.713298 S\n0.260820 0.713297 0.264994 S\n0.714399 0.263703 0.263714 S\n0.739198 0.286725 0.734998 S\n0.285604 0.736293 0.736289 S\n0.257006 0.263928 0.263880 S\n0.739109 0.735301 0.286687 S\n",
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"volume": 270.9843927192187,
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"formula_full": "Mg2 Mn2 Al2 S8",
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"spacegroup": 74
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{
"id": "mp-1190793",
"created_at": "2022-09-04T14:47:45.807508Z",
"structure_string": "P4 N4 O16\n1.0\n7.200710 0.000000 0.000000\n0.000000 8.242469 0.000000\n0.000000 0.000000 8.534900\nP N O\n4 4 16\ndirect\n0.511730 0.505486 0.057066 P\n0.488270 0.005486 0.442934 P\n0.988270 0.494514 0.557066 P\n0.011730 0.994514 0.942934 P\n0.630808 0.017856 0.861291 N\n0.369192 0.517856 0.638709 N\n0.869192 0.982144 0.361291 N\n0.130808 0.482144 0.138709 N\n0.677001 0.435804 0.980161 O\n0.322999 0.935804 0.519839 O\n0.822999 0.564196 0.480161 O\n0.177001 0.064196 0.019839 O\n0.330931 0.407952 0.024603 O\n0.669069 0.907952 0.475397 O\n0.169069 0.592048 0.524603 O\n0.830931 0.092048 0.975397 O\n0.497361 0.652993 0.154155 O\n0.502639 0.152993 0.345845 O\n0.002639 0.347007 0.654155 O\n0.997361 0.847007 0.845845 O\n0.441974 0.626730 0.690756 O\n0.558026 0.126730 0.809244 O\n0.058026 0.373270 0.190756 O\n0.941974 0.873270 0.309244 O\n",
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"spacegroup": 19
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{
"id": "mp-707852",
"created_at": "2022-09-04T14:47:45.321382Z",
"structure_string": "Cu4 H32 C4 N20 Cl12\n1.0\n14.054002 0.000000 0.000000\n0.000000 9.538857 0.000000\n0.000000 7.920941 10.440789\nCu H C N Cl\n4 32 4 20 12\ndirect\n0.881459 0.343132 0.123455 Cu\n0.618541 0.343132 0.623455 Cu\n0.118541 0.656868 0.876545 Cu\n0.381459 0.656868 0.376545 Cu\n0.886671 0.896194 0.488251 H\n0.613329 0.896194 0.988251 H\n0.113329 0.103806 0.511749 H\n0.386671 0.103806 0.011749 H\n0.844905 0.725343 0.496702 H\n0.655095 0.725343 0.996702 H\n0.155095 0.274657 0.503298 H\n0.344905 0.274657 0.003298 H\n0.100346 0.732220 0.366752 H\n0.399654 0.732220 0.866752 H\n0.899654 0.267780 0.633248 H\n0.600346 0.267780 0.133248 H\n0.870507 0.953553 0.872088 H\n0.629493 0.953553 0.372088 H\n0.129493 0.046447 0.127912 H\n0.370507 0.046447 0.627912 H\n0.761826 0.508735 0.854665 H\n0.738174 0.508735 0.354665 H\n0.238174 0.491265 0.145335 H\n0.261826 0.491265 0.645335 H\n0.058304 0.975838 0.702456 H\n0.441696 0.975838 0.202456 H\n0.941696 0.024162 0.297544 H\n0.558304 0.024162 0.797544 H\n0.014462 0.483715 0.529306 H\n0.485538 0.483715 0.029306 H\n0.985538 0.516285 0.470694 H\n0.514462 0.516285 0.970694 H\n0.760125 0.598111 0.839820 H\n0.739875 0.598111 0.339820 H\n0.239875 0.401889 0.160180 H\n0.260125 0.401889 0.660180 H\n0.832413 0.026837 0.159736 C\n0.667587 0.026837 0.659736 C\n0.167587 0.973163 0.840264 C\n0.332413 0.973163 0.340264 C\n0.844074 0.885779 0.272273 N\n0.655926 0.885779 0.772273 N\n0.155926 0.114221 0.727727 N\n0.344074 0.114221 0.227727 N\n0.851492 0.211557 0.069782 N\n0.648508 0.211557 0.569782 N\n0.148508 0.788443 0.930218 N\n0.351492 0.788443 0.430218 N\n0.918179 0.897812 0.338422 N\n0.581821 0.897812 0.838422 N\n0.081821 0.102188 0.661578 N\n0.418179 0.102188 0.161578 N\n0.598403 0.808256 0.969746 N\n0.901597 0.808256 0.469746 N\n0.401597 0.191744 0.030254 N\n0.098403 0.191744 0.530254 N\n0.779443 0.129386 0.053582 N\n0.720557 0.129386 0.553582 N\n0.220557 0.870614 0.946418 N\n0.279443 0.870614 0.446418 N\n0.891213 0.793964 0.970360 Cl\n0.608787 0.793964 0.470360 Cl\n0.108787 0.206036 0.029640 Cl\n0.391213 0.206036 0.529640 Cl\n0.921982 0.345531 0.275276 Cl\n0.578018 0.345531 0.775276 Cl\n0.078018 0.654469 0.724724 Cl\n0.421982 0.654469 0.224724 Cl\n0.647446 0.264694 0.219180 Cl\n0.852554 0.264694 0.719180 Cl\n0.352554 0.735306 0.780820 Cl\n0.147446 0.735306 0.280820 Cl\n",
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{
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"structure_string": "Lu2 B2 C2\n1.0\n1.495534 -2.590341 0.000000\n1.495534 2.590341 0.000000\n0.000000 0.000000 7.744180\nLu B C\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
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{
"id": "mp-1277628",
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"structure_string": "Mn6 O4 F8\n1.0\n-0.002928 4.664567 -0.006014\n0.218958 -0.012082 9.775107\n4.782778 -0.003026 0.108574\nMn O F\n6 4 8\ndirect\n0.980656 0.008994 0.965373 Mn\n0.019358 0.657702 0.034533 Mn\n0.480168 0.158050 0.536649 Mn\n0.519758 0.508617 0.463378 Mn\n0.500002 0.833328 0.499972 Mn\n0.999951 0.333318 0.000061 Mn\n0.826861 0.502010 0.196894 O\n0.325356 0.660007 0.295618 O\n0.674637 0.006637 0.704390 O\n0.173100 0.164738 0.803185 O\n0.767159 0.169927 0.221782 F\n0.264275 0.002105 0.278722 F\n0.735713 0.664488 0.721273 F\n0.232784 0.496761 0.778307 F\n0.810076 0.847071 0.178672 F\n0.306755 0.319725 0.318739 F\n0.693206 0.346941 0.681342 F\n0.190187 0.819578 0.821110 F\n",
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{
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{
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"formula_full": "Sm2 Ge6 Rh1",
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},
{
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]
}