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{
"id": "mp-705853",
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"density_atomic": 0.08433543347897497,
"volume": 948.5929780623491,
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"formula_full": "Na1 Ca8 Sm1 Ti10 Si10 O50",
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"spacegroup": 1
},
{
"id": "mp-1214423",
"created_at": "2022-09-04T14:41:05.025277Z",
"structure_string": "Ca12 Lu8 Ge12 O48\n1.0\n-6.431690 6.431690 6.431690\n6.431690 -6.431690 6.431690\n6.431690 6.431690 -6.431690\nCa Lu Ge O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.375000 0.250000 0.625000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.481898 0.376260 0.289065 O\n0.518102 0.623740 0.710935 O\n0.587195 0.192833 0.210935 O\n0.912805 0.123740 0.605638 O\n0.289065 0.481898 0.376260 O\n0.307167 0.912805 0.289065 O\n0.412805 0.807167 0.789065 O\n0.087195 0.876260 0.394362 O\n0.710935 0.518102 0.623740 O\n0.692833 0.087195 0.710935 O\n0.018102 0.307167 0.894362 O\n0.210935 0.587195 0.192833 O\n0.123740 0.018102 0.210935 O\n0.981898 0.692833 0.105638 O\n0.789065 0.412805 0.807167 O\n0.876260 0.981898 0.789065 O\n0.605638 0.912805 0.123740 O\n0.192833 0.481898 0.605638 O\n0.394362 0.087195 0.876260 O\n0.807167 0.518102 0.394362 O\n0.894362 0.018102 0.307167 O\n0.376260 0.587195 0.894362 O\n0.105638 0.981898 0.692833 O\n0.623740 0.412805 0.105638 O\n0.376260 0.289065 0.481898 O\n0.587195 0.894362 0.376260 O\n0.623740 0.710935 0.518102 O\n0.412805 0.105638 0.623740 O\n0.123740 0.605638 0.912805 O\n0.018102 0.210935 0.123740 O\n0.876260 0.394362 0.087195 O\n0.981898 0.789065 0.876260 O\n0.307167 0.894362 0.018102 O\n0.912805 0.289065 0.307167 O\n0.692833 0.105638 0.981898 O\n0.087195 0.710935 0.692833 O\n0.192833 0.210935 0.587195 O\n0.481898 0.605638 0.192833 O\n0.807167 0.789065 0.412805 O\n0.518102 0.394362 0.807167 O\n0.289065 0.307167 0.912805 O\n0.710935 0.692833 0.087195 O\n0.210935 0.123740 0.018102 O\n0.789065 0.876260 0.981898 O\n0.894362 0.376260 0.587195 O\n0.105638 0.623740 0.412805 O\n0.605638 0.192833 0.481898 O\n0.394362 0.807167 0.518102 O\n",
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"formula_full": "Ca12 Lu8 Ge12 O48",
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{
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"created_at": "2022-09-04T14:41:07.747596Z",
"structure_string": "Rb12 Sb4 O12\n1.0\n8.862153 0.000000 0.000000\n0.000000 8.862153 0.000000\n0.000000 0.000000 8.862153\nRb Sb O\n12 4 12\ndirect\n0.024884 0.024884 0.024884 Rb\n0.212309 0.287691 0.712309 Rb\n0.218052 0.718052 0.781948 Rb\n0.281948 0.281948 0.281948 Rb\n0.287691 0.712309 0.212309 Rb\n0.475116 0.975116 0.524884 Rb\n0.524884 0.475116 0.975116 Rb\n0.712309 0.212309 0.287691 Rb\n0.718052 0.781948 0.218052 Rb\n0.781948 0.218052 0.718052 Rb\n0.787691 0.787691 0.787691 Rb\n0.975116 0.524884 0.475116 Rb\n0.010432 0.989568 0.489568 Sb\n0.489568 0.010432 0.989568 Sb\n0.510432 0.510432 0.510432 Sb\n0.989568 0.489568 0.010432 Sb\n0.004590 0.206546 0.443003 O\n0.056997 0.995410 0.706546 O\n0.206546 0.443003 0.004590 O\n0.293454 0.556997 0.504590 O\n0.443003 0.004590 0.206546 O\n0.495410 0.793454 0.943003 O\n0.504590 0.293454 0.556997 O\n0.556997 0.504590 0.293454 O\n0.706546 0.056997 0.995410 O\n0.793454 0.943003 0.495410 O\n0.943003 0.495410 0.793454 O\n0.995410 0.706546 0.056997 O\n",
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{
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"structure_string": "Mn4 H48 C8 N4 Cl12 O8\n1.0\n6.118999 8.711659 0.000000\n-6.118999 8.711659 0.000000\n0.000000 0.138743 9.247701\nMn H C N Cl O\n4 48 8 4 12 8\ndirect\n0.238295 0.265541 0.214223 Mn\n0.734459 0.761705 0.285777 Mn\n0.761705 0.734459 0.785777 Mn\n0.265541 0.238295 0.714223 Mn\n0.388375 0.857925 0.416412 H\n0.142075 0.611625 0.083588 H\n0.611625 0.142075 0.583588 H\n0.857925 0.388375 0.916412 H\n0.335162 0.905012 0.585727 H\n0.094988 0.664838 0.914273 H\n0.664838 0.094988 0.414273 H\n0.905012 0.335162 0.085727 H\n0.255779 0.057170 0.031349 H\n0.942830 0.744221 0.468651 H\n0.744221 0.942830 0.968651 H\n0.057170 0.255779 0.531349 H\n0.354163 0.991234 0.156797 H\n0.008766 0.645837 0.343203 H\n0.645837 0.008766 0.843203 H\n0.991234 0.354163 0.656797 H\n0.454072 0.225008 0.028118 H\n0.774992 0.545928 0.471882 H\n0.545928 0.774992 0.971882 H\n0.225008 0.454072 0.528118 H\n0.518735 0.153272 0.171742 H\n0.846728 0.481265 0.328258 H\n0.481265 0.846728 0.828258 H\n0.153272 0.518735 0.671742 H\n0.170034 0.820139 0.378381 H\n0.179861 0.829966 0.121619 H\n0.829966 0.179861 0.621619 H\n0.820139 0.170034 0.878381 H\n0.122071 0.898769 0.549360 H\n0.101231 0.877929 0.950640 H\n0.877929 0.101231 0.450640 H\n0.898769 0.122071 0.049360 H\n0.161516 0.990548 0.400566 H\n0.009452 0.838484 0.099434 H\n0.838484 0.009452 0.599434 H\n0.990548 0.161516 0.900566 H\n0.303942 0.683326 0.619564 H\n0.316674 0.696058 0.880436 H\n0.696058 0.316674 0.380436 H\n0.683326 0.303942 0.119564 H\n0.384741 0.641456 0.447553 H\n0.358544 0.615259 0.052447 H\n0.615259 0.358544 0.552447 H\n0.641456 0.384741 0.947553 H\n0.473876 0.678324 0.595966 H\n0.321676 0.526124 0.904034 H\n0.526124 0.321676 0.404034 H\n0.678324 0.473876 0.095966 H\n0.185057 0.892554 0.453192 C\n0.107446 0.814943 0.046808 C\n0.814943 0.107446 0.546808 C\n0.892554 0.185057 0.953192 C\n0.376344 0.701863 0.544567 C\n0.298137 0.623656 0.955433 C\n0.623656 0.298137 0.455433 C\n0.701863 0.376344 0.044567 C\n0.327064 0.845347 0.500140 N\n0.154653 0.672936 0.999860 N\n0.672936 0.154653 0.499860 N\n0.845347 0.327064 0.000140 N\n0.343118 0.158465 0.454047 Cl\n0.841535 0.656882 0.045953 Cl\n0.656882 0.841535 0.545953 Cl\n0.158465 0.343118 0.954047 Cl\n0.002218 0.283588 0.297439 Cl\n0.716412 0.997782 0.202561 Cl\n0.997782 0.716412 0.702561 Cl\n0.283588 0.002218 0.797439 Cl\n0.210403 0.499685 0.296496 Cl\n0.500315 0.789597 0.203504 Cl\n0.789597 0.500315 0.703504 Cl\n0.499685 0.210403 0.796496 Cl\n0.266288 0.059670 0.137578 O\n0.940330 0.733712 0.362422 O\n0.733712 0.940330 0.862422 O\n0.059670 0.266288 0.637578 O\n0.445496 0.231949 0.135170 O\n0.768051 0.554504 0.364830 O\n0.554504 0.768051 0.864830 O\n0.231949 0.445496 0.635170 O\n",
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"formula_full": "Mn4 H48 C8 N4 Cl12 O8",
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{
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"structure_string": "Hf1 Mg6 C1 O8\n1.0\n9.286663 0.000000 0.000000\n0.000000 4.229279 0.000000\n-0.000000 -0.000000 4.229279\nHf Mg C O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Hf\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259628 0.000000 0.500000 Mg\n0.740372 -0.000000 0.500000 Mg\n0.259628 0.500000 0.000000 Mg\n0.740372 0.500000 -0.000000 Mg\n0.000000 -0.000000 0.000000 C\n0.284462 -0.000000 -0.000000 O\n0.715538 0.000000 0.000000 O\n0.237075 0.500000 0.500000 O\n0.762925 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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{
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{
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