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{
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{
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"formula_full": "Fe4 Pb6 F24",
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{
"id": "mp-28156",
"created_at": "2022-09-04T14:45:28.749251Z",
"structure_string": "Na2 Gd2 Cl8\n1.0\n6.778112 0.000000 0.000000\n1.409387 6.691322 0.000000\n0.282820 0.029387 7.085540\nNa Gd Cl\n2 2 8\ndirect\n0.767106 0.805131 0.465653 Na\n0.232894 0.194869 0.534347 Na\n0.789231 0.300412 0.054102 Gd\n0.210769 0.699588 0.945898 Gd\n0.608389 0.204046 0.365079 Cl\n0.956479 0.496991 0.756790 Cl\n0.564371 0.685476 0.119914 Cl\n0.391611 0.795954 0.634921 Cl\n0.435629 0.314524 0.880086 Cl\n0.906069 0.998220 0.792205 Cl\n0.093931 0.001780 0.207795 Cl\n0.043521 0.503009 0.243210 Cl\n",
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{
"id": "mp-1222021",
"created_at": "2022-09-04T14:45:27.220520Z",
"structure_string": "Mn2 Cu10 Sb4 S13\n1.0\n-5.177812 5.177812 5.319865\n5.177812 -5.177812 5.319865\n5.177812 5.177812 -5.319865\nMn Cu Sb S\n2 10 4 13\ndirect\n0.777622 0.777622 0.000000 Mn\n0.222378 0.222378 0.000000 Mn\n0.752400 0.500000 0.252400 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.247600 0.747600 Cu\n0.500000 0.752400 0.252400 Cu\n0.750000 0.250000 0.500000 Cu\n0.247600 0.500000 0.747600 Cu\n0.000000 0.778185 0.778185 Cu\n0.778185 0.000000 0.778185 Cu\n0.000000 0.221815 0.221815 Cu\n0.221815 0.000000 0.221815 Cu\n0.465762 0.465762 0.458008 Sb\n0.007754 0.007754 0.541992 Sb\n0.992246 0.534238 0.000000 Sb\n0.534238 0.992246 0.000000 Sb\n0.000000 0.000000 0.000000 S\n0.511635 0.511635 0.762988 S\n0.770966 0.519611 0.521948 S\n0.519611 0.770966 0.521948 S\n0.748648 0.748648 0.237012 S\n0.997662 0.249018 0.478052 S\n0.249018 0.997662 0.478052 S\n0.251352 0.488365 0.000000 S\n0.002338 0.480389 0.251356 S\n0.750982 0.229034 0.748644 S\n0.488365 0.251352 0.000000 S\n0.229034 0.750982 0.748644 S\n0.480389 0.002338 0.251356 S\n",
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"density": 4.800371173297119,
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"volume": 570.4967283862425,
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"formula_full": "Mn2 Cu10 Sb4 S13",
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{
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"created_at": "2022-09-04T14:45:20.963116Z",
"structure_string": "V8 O10 F14\n1.0\n5.269167 0.000000 0.000000\n2.617595 4.670879 0.000000\n2.510096 0.815136 17.127543\nV O F\n8 10 14\ndirect\n0.358698 0.396357 0.879705 V\n0.860619 0.909276 0.380176 V\n0.703456 0.789719 0.748191 V\n0.206012 0.294440 0.247706 V\n0.126026 0.147781 0.631241 V\n0.630552 0.654424 0.131036 V\n0.982686 0.980937 0.003033 V\n0.478134 0.528331 0.505358 V\n0.266959 0.678586 0.933016 O\n0.764440 0.185254 0.435348 O\n0.495944 0.053039 0.809994 O\n0.016642 0.425824 0.686655 O\n0.999715 0.555654 0.309389 O\n0.507771 0.907281 0.670008 O\n0.013987 0.405114 0.169034 O\n0.804604 0.799603 0.042272 O\n0.521905 0.924961 0.189296 O\n0.246140 0.803604 0.561213 O\n0.756616 0.163906 0.912834 F\n0.970474 0.935562 0.710304 F\n0.262024 0.667559 0.412395 F\n0.474202 0.435670 0.208811 F\n0.213990 0.192097 0.957740 F\n0.993955 0.564716 0.831115 F\n0.498834 0.069073 0.332078 F\n0.290768 0.286035 0.538066 F\n0.732785 0.691554 0.460065 F\n0.752838 0.309718 0.583853 F\n0.541437 0.538217 0.787733 F\n0.043315 0.042103 0.288292 F\n0.730640 0.329199 0.060582 F\n0.253830 0.834402 0.083461 F\n",
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{
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"structure_string": "Mg2 Ti2 Mo2 P6 O24\n1.0\n8.655629 -0.188203 -0.131250\n4.411037 7.449704 -0.131250\n4.411037 2.451333 7.036071\nMg Ti Mo P O\n2 2 2 6 24\ndirect\n0.000977 0.000977 0.000977 Mg\n0.500977 0.500977 0.500977 Mg\n0.145919 0.145919 0.145919 Ti\n0.645919 0.645919 0.645919 Ti\n0.357795 0.357795 0.357795 Mo\n0.857795 0.857795 0.857795 Mo\n0.043623 0.448693 0.757278 P\n0.448693 0.757278 0.043623 P\n0.757278 0.043623 0.448693 P\n0.257278 0.948693 0.543623 P\n0.543623 0.257278 0.948693 P\n0.948693 0.543623 0.257278 P\n0.096039 0.504873 0.327739 O\n0.327739 0.096039 0.504873 O\n0.052762 0.253273 0.914921 O\n0.504873 0.327739 0.096039 O\n0.004873 0.596039 0.827739 O\n0.239196 0.434788 0.601160 O\n0.253273 0.914921 0.052762 O\n0.434788 0.601160 0.239196 O\n0.190053 0.001736 0.379171 O\n0.601160 0.239196 0.434788 O\n0.101160 0.934788 0.739196 O\n0.379171 0.190053 0.001736 O\n0.596039 0.827739 0.004873 O\n0.914921 0.052762 0.253273 O\n0.414921 0.753273 0.552762 O\n0.827739 0.004873 0.596039 O\n0.552762 0.414921 0.753273 O\n0.739196 0.101160 0.934788 O\n0.753273 0.552762 0.414921 O\n0.001736 0.379171 0.190053 O\n0.501736 0.690053 0.879171 O\n0.934788 0.739196 0.101160 O\n0.690053 0.879171 0.501736 O\n0.879171 0.501736 0.690053 O\n",
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{
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"structure_string": "Li8 Co8 P8 O36\n1.0\n5.530088 0.000000 0.000000\n0.000000 7.974108 0.000000\n0.000000 0.000000 14.725190\nLi Co P O\n8 8 8 36\ndirect\n0.750000 0.566696 0.253031 Li\n0.750000 0.547358 0.626056 Li\n0.250000 0.952642 0.126056 Li\n0.250000 0.933304 0.753031 Li\n0.750000 0.066696 0.246969 Li\n0.750000 0.047358 0.873944 Li\n0.250000 0.452642 0.373944 Li\n0.250000 0.433304 0.746969 Li\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.750000 0.714806 0.435749 Co\n0.250000 0.785194 0.935749 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.750000 0.214806 0.064251 Co\n0.250000 0.285194 0.564251 Co\n0.250000 0.680770 0.576674 P\n0.750000 0.699034 0.837136 P\n0.250000 0.800966 0.337136 P\n0.750000 0.819230 0.076674 P\n0.250000 0.180770 0.923326 P\n0.750000 0.199034 0.662864 P\n0.250000 0.300966 0.162864 P\n0.750000 0.319230 0.423326 P\n0.750000 0.490029 0.474500 O\n0.750000 0.558076 0.915620 O\n0.250000 0.558467 0.921011 O\n0.750000 0.607573 0.749188 O\n0.250000 0.667747 0.679054 O\n0.025581 0.684014 0.351849 O\n0.474419 0.684014 0.351849 O\n0.511259 0.729132 0.042998 O\n0.988741 0.729132 0.042998 O\n0.011259 0.770868 0.542998 O\n0.488741 0.770868 0.542998 O\n0.525581 0.815986 0.851849 O\n0.974419 0.815986 0.851849 O\n0.750000 0.832253 0.179054 O\n0.250000 0.892427 0.249188 O\n0.750000 0.941533 0.421011 O\n0.250000 0.941924 0.415620 O\n0.250000 0.009971 0.974500 O\n0.750000 0.990029 0.025500 O\n0.750000 0.058076 0.584380 O\n0.250000 0.058467 0.578989 O\n0.750000 0.107573 0.750812 O\n0.250000 0.167747 0.820946 O\n0.025581 0.184014 0.148151 O\n0.474419 0.184014 0.148151 O\n0.511259 0.229132 0.457002 O\n0.988741 0.229132 0.457002 O\n0.011259 0.270868 0.957002 O\n0.488741 0.270868 0.957002 O\n0.525581 0.315986 0.648151 O\n0.974419 0.315986 0.648151 O\n0.750000 0.332253 0.320946 O\n0.250000 0.392427 0.250812 O\n0.750000 0.441533 0.078989 O\n0.250000 0.441924 0.084380 O\n0.250000 0.509971 0.525500 O\n",
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{
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{
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