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{
"id": "mp-1094424",
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{
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"structure_string": "Cr20 O48\n1.0\n8.984815 0.000000 0.000000\n0.000000 9.059561 0.000000\n0.000000 0.000000 12.535548\nCr O\n20 48\ndirect\n0.750000 0.963196 0.500000 Cr\n0.250000 0.036804 0.500000 Cr\n0.468056 0.749191 0.619598 Cr\n0.968056 0.250809 0.619598 Cr\n0.106068 0.604159 0.645241 Cr\n0.606068 0.395841 0.645241 Cr\n0.606068 0.895841 0.854759 Cr\n0.106068 0.104159 0.854759 Cr\n0.968056 0.750809 0.880402 Cr\n0.468056 0.249191 0.880402 Cr\n0.250000 0.536804 0.000000 Cr\n0.750000 0.463196 0.000000 Cr\n0.531944 0.750809 0.119598 Cr\n0.031944 0.249191 0.119598 Cr\n0.893932 0.895841 0.145241 Cr\n0.393932 0.104159 0.145241 Cr\n0.393932 0.604159 0.354759 Cr\n0.893932 0.395841 0.354759 Cr\n0.031944 0.749191 0.380402 Cr\n0.531944 0.250809 0.380402 Cr\n0.057407 0.658587 0.523966 O\n0.557407 0.341413 0.523966 O\n0.859361 0.069101 0.574233 O\n0.359361 0.930899 0.574233 O\n0.653228 0.855225 0.581969 O\n0.153228 0.144775 0.581969 O\n0.594114 0.578469 0.658840 O\n0.094114 0.421531 0.658840 O\n0.281717 0.650410 0.668920 O\n0.781717 0.349590 0.668920 O\n0.988748 0.681420 0.731574 O\n0.488748 0.318580 0.731574 O\n0.488748 0.818580 0.768426 O\n0.988748 0.181420 0.768426 O\n0.281717 0.150410 0.831080 O\n0.781717 0.849590 0.831080 O\n0.094114 0.921531 0.841160 O\n0.594114 0.078469 0.841160 O\n0.153228 0.644775 0.918031 O\n0.653228 0.355225 0.918031 O\n0.859361 0.569101 0.925767 O\n0.359361 0.430899 0.925767 O\n0.057407 0.158587 0.976034 O\n0.557407 0.841413 0.976034 O\n0.942593 0.841413 0.023966 O\n0.442593 0.158587 0.023966 O\n0.640639 0.569101 0.074233 O\n0.140639 0.430899 0.074233 O\n0.346772 0.644775 0.081969 O\n0.846772 0.355225 0.081969 O\n0.405886 0.921531 0.158840 O\n0.905886 0.078469 0.158840 O\n0.718283 0.849590 0.168920 O\n0.218283 0.150410 0.168920 O\n0.011252 0.818580 0.231574 O\n0.511252 0.181420 0.231574 O\n0.511252 0.681420 0.268426 O\n0.011252 0.318580 0.268426 O\n0.218283 0.650410 0.331080 O\n0.718283 0.349590 0.331080 O\n0.905886 0.578469 0.341160 O\n0.405886 0.421531 0.341160 O\n0.846772 0.855225 0.418031 O\n0.346772 0.144775 0.418031 O\n0.140639 0.930899 0.425767 O\n0.640639 0.069101 0.425767 O\n0.442593 0.658587 0.476034 O\n0.942593 0.341413 0.476034 O\n",
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"formula_full": "Cr20 O48",
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"spacegroup": 60
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{
"id": "mp-779727",
"created_at": "2022-09-04T14:42:28.365578Z",
"structure_string": "Ti34 N12 O48\n1.0\n10.040647 0.000000 0.000000\n0.000000 9.666036 0.000000\n0.000000 0.005950 11.472360\nTi N O\n34 12 48\ndirect\n0.429568 0.635554 0.666093 Ti\n0.939990 0.363021 0.665328 Ti\n0.070432 0.635554 0.666093 Ti\n0.750000 0.699304 0.666723 Ti\n0.560010 0.363021 0.665328 Ti\n0.922925 0.859530 0.496005 Ti\n0.422925 0.140470 0.503995 Ti\n0.577075 0.859530 0.496005 Ti\n0.250000 0.804543 0.498388 Ti\n0.077075 0.140470 0.503995 Ti\n0.750000 0.195457 0.501612 Ti\n0.060010 0.636979 0.334672 Ti\n0.570432 0.364446 0.333907 Ti\n0.929568 0.364446 0.333907 Ti\n0.439990 0.636979 0.334672 Ti\n0.250000 0.300696 0.333277 Ti\n0.576545 0.856142 0.172378 Ti\n0.250000 0.801322 0.171382 Ti\n0.069387 0.135644 0.167418 Ti\n0.430613 0.135644 0.167418 Ti\n0.923455 0.856142 0.172378 Ti\n0.750000 0.198166 0.169259 Ti\n0.572295 0.359027 0.000539 Ti\n0.072295 0.640973 0.999461 Ti\n0.427705 0.640973 0.999461 Ti\n0.250000 0.302164 0.001309 Ti\n0.750000 0.697836 0.998691 Ti\n0.927705 0.359027 0.000539 Ti\n0.569387 0.864356 0.832582 Ti\n0.750000 0.198678 0.828618 Ti\n0.423455 0.143858 0.827622 Ti\n0.930613 0.864356 0.832582 Ti\n0.250000 0.801834 0.830741 Ti\n0.076545 0.143858 0.827622 Ti\n0.250000 0.732892 0.665251 N\n0.750000 0.268768 0.666493 N\n0.750000 0.779355 0.511201 N\n0.250000 0.220645 0.488799 N\n0.250000 0.731232 0.333507 N\n0.750000 0.267108 0.334749 N\n0.750000 0.779874 0.153697 N\n0.250000 0.226471 0.165489 N\n0.250000 0.728909 0.001353 N\n0.750000 0.271091 0.998647 N\n0.250000 0.220126 0.846303 N\n0.750000 0.773529 0.834511 N\n0.565617 0.813819 0.668598 O\n0.391332 0.456094 0.666815 O\n0.878310 0.549570 0.666447 O\n0.050241 0.175800 0.666972 O\n0.108668 0.456094 0.666815 O\n0.934383 0.813819 0.668598 O\n0.621690 0.549570 0.666447 O\n0.449759 0.175800 0.666972 O\n0.119711 0.951885 0.502887 O\n0.380289 0.951885 0.502887 O\n0.562554 0.310814 0.500368 O\n0.437446 0.689186 0.499632 O\n0.062554 0.689186 0.499632 O\n0.937446 0.310814 0.500368 O\n0.880289 0.048115 0.497113 O\n0.619711 0.048115 0.497113 O\n0.550241 0.824200 0.333028 O\n0.949759 0.824200 0.333028 O\n0.891332 0.543906 0.333185 O\n0.121690 0.450430 0.333553 O\n0.608668 0.543906 0.333185 O\n0.065617 0.186181 0.331402 O\n0.378310 0.450430 0.333553 O\n0.434383 0.186181 0.331402 O\n0.437260 0.689186 0.167151 O\n0.062740 0.689186 0.167151 O\n0.565894 0.311779 0.166884 O\n0.618341 0.048426 0.167200 O\n0.120389 0.951899 0.164276 O\n0.379611 0.951899 0.164276 O\n0.934106 0.311779 0.166884 O\n0.881659 0.048426 0.167200 O\n0.562711 0.809189 0.998292 O\n0.618565 0.547113 0.000056 O\n0.381435 0.452887 0.999944 O\n0.118565 0.452887 0.999944 O\n0.437289 0.190811 0.001708 O\n0.062711 0.190811 0.001708 O\n0.937289 0.809189 0.998292 O\n0.881435 0.547113 0.000056 O\n0.562740 0.310814 0.832849 O\n0.937260 0.310814 0.832849 O\n0.620389 0.048101 0.835724 O\n0.879611 0.048101 0.835724 O\n0.118341 0.951574 0.832800 O\n0.381659 0.951574 0.832800 O\n0.434106 0.688221 0.833116 O\n0.065894 0.688221 0.833116 O\n",
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{
"id": "mp-555006",
"created_at": "2022-09-04T14:42:28.369940Z",
"structure_string": "Cs2 Ga4 P10 O32\n1.0\n9.370082 0.000000 0.000000\n0.000000 7.558591 0.000000\n0.000000 3.925625 9.585452\nCs Ga P O\n2 4 10 32\ndirect\n0.196003 0.980449 0.264860 Cs\n0.803997 0.980449 0.764860 Cs\n0.630943 0.914376 0.372923 Ga\n0.138592 0.356494 0.480393 Ga\n0.369057 0.914376 0.872923 Ga\n0.861408 0.356494 0.980393 Ga\n0.585349 0.103189 0.038839 P\n0.544570 0.500486 0.999431 P\n0.127011 0.263438 0.812158 P\n0.703540 0.553254 0.637962 P\n0.872989 0.263438 0.312158 P\n0.860650 0.598439 0.383120 P\n0.455430 0.500486 0.499431 P\n0.296460 0.553254 0.137962 P\n0.139350 0.598439 0.883120 P\n0.414651 0.103189 0.538839 P\n0.506594 0.313017 0.970025 O\n0.216969 0.476999 0.029882 O\n0.746143 0.133167 0.018599 O\n0.544057 0.468909 0.641977 O\n0.065466 0.279270 0.671600 O\n0.518311 0.671531 0.384953 O\n0.231309 0.457518 0.277967 O\n0.819238 0.481145 0.290677 O\n0.455943 0.468909 0.141977 O\n0.297633 0.502919 0.528468 O\n0.481689 0.671531 0.884953 O\n0.493406 0.313017 0.470025 O\n0.934534 0.279270 0.171600 O\n0.783031 0.476999 0.529882 O\n0.467208 0.991697 0.453648 O\n0.020741 0.591847 0.409746 O\n0.702367 0.502919 0.028468 O\n0.801300 0.797783 0.316889 O\n0.198700 0.797783 0.816889 O\n0.701588 0.769542 0.573608 O\n0.253857 0.133167 0.518599 O\n0.988005 0.212864 0.425783 O\n0.258548 0.138837 0.860085 O\n0.768691 0.457518 0.777967 O\n0.459924 0.024288 0.691546 O\n0.532792 0.991697 0.953648 O\n0.741452 0.138837 0.360085 O\n0.540076 0.024288 0.191546 O\n0.979259 0.591847 0.909746 O\n0.011995 0.212864 0.925783 O\n0.180762 0.481145 0.790677 O\n0.298412 0.769542 0.073608 O\n",
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"formula_full": "Cs2 Ga4 P10 O32",
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{
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"structure_string": "Hf2 Ga3 Co1\n1.0\n-4.186735 0.000000 0.000000\n-2.093367 -3.224052 3.673232\n2.093367 3.182780 3.637073\nHf Ga Co\n2 3 1\ndirect\n0.748598 0.714855 0.212051 Hf\n0.249675 0.292971 0.792322 Hf\n0.477004 0.670990 0.624998 Ga\n0.041032 0.137110 0.219173 Ga\n0.939178 0.897577 0.775934 Ga\n0.544512 0.286497 0.375521 Co\n",
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{
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"structure_string": "Li4 Er16 Ge16\n1.0\n7.086176 0.000000 0.000000\n0.000000 7.679240 0.000000\n0.000000 0.000000 14.584340\nLi Er Ge\n4 16 16\ndirect\n0.158387 0.521491 0.750000 Li\n0.841613 0.478509 0.250000 Li\n0.341613 0.021491 0.250000 Li\n0.658387 0.978509 0.750000 Li\n0.328041 0.176195 0.627770 Er\n0.671959 0.823805 0.372230 Er\n0.171959 0.676195 0.372230 Er\n0.671959 0.823805 0.127770 Er\n0.828041 0.323805 0.627770 Er\n0.328041 0.176195 0.872230 Er\n0.828041 0.323805 0.872230 Er\n0.171959 0.676195 0.127770 Er\n0.014026 0.185916 0.096679 Er\n0.985974 0.814084 0.903321 Er\n0.485974 0.685916 0.903321 Er\n0.985974 0.814084 0.596679 Er\n0.514026 0.314084 0.096679 Er\n0.014026 0.185916 0.403321 Er\n0.514026 0.314084 0.403321 Er\n0.485974 0.685916 0.596679 Er\n0.017607 0.088009 0.750000 Ge\n0.982393 0.911991 0.250000 Ge\n0.482393 0.588009 0.250000 Ge\n0.517607 0.411991 0.750000 Ge\n0.284338 0.862989 0.750000 Ge\n0.715662 0.137011 0.250000 Ge\n0.215662 0.362989 0.250000 Ge\n0.784338 0.637011 0.750000 Ge\n0.167081 0.466117 0.537255 Ge\n0.832919 0.533883 0.462745 Ge\n0.332919 0.966117 0.462745 Ge\n0.832919 0.533883 0.037255 Ge\n0.667081 0.033883 0.537255 Ge\n0.167081 0.466117 0.962745 Ge\n0.667081 0.033883 0.962745 Ge\n0.332919 0.966117 0.037255 Ge\n",
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{
"id": "mp-1228973",
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"structure_string": "Al3 Zn1 Cr8\n1.0\n2.975938 0.000000 0.000000\n0.000000 2.975938 0.000000\n0.000000 0.000000 17.220633\nAl Zn Cr\n3 1 8\ndirect\n0.500000 0.500000 0.250606 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.749394 Al\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.092303 Cr\n0.000000 0.000000 0.341790 Cr\n0.500000 0.500000 0.591751 Cr\n0.000000 0.000000 0.842375 Cr\n0.000000 0.000000 0.157625 Cr\n0.500000 0.500000 0.408249 Cr\n0.000000 0.000000 0.658210 Cr\n0.500000 0.500000 0.907697 Cr\n",
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{
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