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{
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"structure_string": "Li12 Zn3 P6 S24\n1.0\n10.247515 0.000000 0.000000\n2.630976 9.935766 0.000000\n4.218213 1.220121 9.296463\nLi Zn P S\n12 3 6 24\ndirect\n0.597024 0.238573 0.315275 Li\n0.423049 0.754594 0.665752 Li\n0.240526 0.250134 0.997270 Li\n0.912334 0.254690 0.683201 Li\n0.831613 0.499085 0.333989 Li\n0.503056 0.497638 0.995135 Li\n0.348415 0.990870 0.320953 Li\n0.994148 0.006833 0.010615 Li\n0.166265 0.510333 0.667954 Li\n0.542878 0.374996 0.656150 Li\n0.208343 0.363803 0.332255 Li\n0.048832 0.885287 0.677749 Li\n0.084226 0.752689 0.332351 Zn\n0.740482 0.749826 0.011720 Zn\n0.659967 0.000225 0.668041 Zn\n0.461384 0.622506 0.332230 P\n0.296728 0.131589 0.659603 P\n0.119489 0.630217 0.005507 P\n0.957539 0.122388 0.343780 P\n0.613718 0.123111 0.996589 P\n0.797997 0.621500 0.663556 P\n0.360778 0.168462 0.439370 S\n0.190305 0.680253 0.784687 S\n0.011995 0.172147 0.130522 S\n0.855809 0.681105 0.444798 S\n0.518527 0.672895 0.112040 S\n0.686965 0.169787 0.769790 S\n0.464831 0.781409 0.414487 S\n0.300677 0.297077 0.738942 S\n0.133281 0.793708 0.083163 S\n0.962313 0.284973 0.428140 S\n0.639206 0.283087 0.062727 S\n0.795768 0.793914 0.750865 S\n0.591446 0.450916 0.390210 S\n0.424459 0.964662 0.732055 S\n0.253613 0.460682 0.061426 S\n0.096243 0.951869 0.406893 S\n0.757163 0.958384 0.052584 S\n0.928923 0.467089 0.732436 S\n0.592731 0.579096 0.738300 S\n0.414555 0.075641 0.070647 S\n0.251137 0.574905 0.405961 S\n0.091250 0.084059 0.750791 S\n0.755288 0.068804 0.419391 S\n0.916392 0.579192 0.076770 S\n",
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"formula_full": "Li12 Zn3 P6 S24",
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{
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{
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{
"id": "mp-1046360",
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"structure_string": "Ca8 Ti10 Te6 O36\n1.0\n5.153117 7.390674 0.000000\n-5.153117 7.390674 0.000000\n0.000000 1.068222 11.602920\nCa Ti Te O\n8 10 6 36\ndirect\n0.934861 0.643375 0.359154 Ca\n0.272461 0.625724 0.536469 Ca\n0.356625 0.065139 0.140846 Ca\n0.374276 0.727539 0.963531 Ca\n0.625724 0.272461 0.036469 Ca\n0.643375 0.934861 0.859154 Ca\n0.065139 0.356625 0.640846 Ca\n0.727539 0.374276 0.463531 Ca\n0.014021 0.689133 0.814879 Ti\n0.689133 0.014021 0.314879 Ti\n0.451596 0.875205 0.428250 Ti\n0.875205 0.451596 0.928250 Ti\n0.124795 0.548404 0.071750 Ti\n0.878069 0.121931 0.750000 Ti\n0.121931 0.878069 0.250000 Ti\n0.548404 0.124795 0.571750 Ti\n0.985979 0.310867 0.185121 Ti\n0.310867 0.985979 0.685121 Ti\n0.349940 0.342955 0.851741 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.342955 0.349940 0.351741 Te\n0.650060 0.657045 0.148259 Te\n0.657045 0.650060 0.648259 Te\n0.443988 0.155324 0.947241 O\n0.096751 0.738276 0.950223 O\n0.132105 0.661677 0.191665 O\n0.075102 0.109297 0.239452 O\n0.261724 0.903249 0.549777 O\n0.890703 0.924898 0.260548 O\n0.470513 0.348454 0.485645 O\n0.778324 0.101113 0.905259 O\n0.221676 0.898887 0.094741 O\n0.658549 0.815979 0.345159 O\n0.148150 0.576500 0.701348 O\n0.341451 0.184021 0.654841 O\n0.903249 0.261724 0.049777 O\n0.087998 0.451559 0.912169 O\n0.423500 0.851850 0.798652 O\n0.529487 0.651546 0.514355 O\n0.851850 0.423500 0.298652 O\n0.548441 0.912002 0.587831 O\n0.338323 0.867895 0.308335 O\n0.576500 0.148150 0.201348 O\n0.155324 0.443988 0.447241 O\n0.912002 0.548441 0.087831 O\n0.898887 0.221676 0.594741 O\n0.348454 0.470513 0.985645 O\n0.867895 0.338323 0.808335 O\n0.109297 0.075102 0.739452 O\n0.815979 0.658549 0.845159 O\n0.651546 0.529487 0.014355 O\n0.738276 0.096751 0.450223 O\n0.451559 0.087998 0.412169 O\n0.556012 0.844676 0.052759 O\n0.924898 0.890703 0.760548 O\n0.101113 0.778324 0.405259 O\n0.184021 0.341451 0.154841 O\n0.661677 0.132105 0.691665 O\n0.844676 0.556012 0.552759 O\n",
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{
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"structure_string": "Mg14 Zn1 Cu1 O16\n1.0\n4.250577 0.000000 0.000000\n0.000000 8.529275 0.000000\n0.000000 0.000000 8.539505\nMg Zn Cu O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.749279 0.000000 Mg\n0.500000 0.250721 0.000000 Mg\n0.500000 0.749954 0.500000 Mg\n0.500000 0.250046 0.500000 Mg\n0.500000 0.000000 0.750172 Mg\n0.500000 0.500000 0.750904 Mg\n0.500000 0.000000 0.249828 Mg\n0.500000 0.500000 0.249096 Mg\n0.000000 0.749352 0.750849 Mg\n0.000000 0.250648 0.750849 Mg\n0.000000 0.749352 0.249151 Mg\n0.000000 0.250648 0.249151 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.746581 O\n0.000000 0.500000 0.746362 O\n0.000000 0.000000 0.253419 O\n0.000000 0.500000 0.253638 O\n0.500000 0.749916 0.750947 O\n0.500000 0.250084 0.750947 O\n0.500000 0.749916 0.249053 O\n0.500000 0.250084 0.249053 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.751142 0.000000 O\n0.000000 0.248858 0.000000 O\n0.000000 0.749941 0.500000 O\n0.000000 0.250059 0.500000 O\n",
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{
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"structure_string": "Re4 Te8 Cl44 O2\n1.0\n9.508662 0.000000 0.000000\n0.000000 11.740532 0.000000\n0.000000 8.158701 16.725751\nRe Te Cl O\n4 8 44 2\ndirect\n0.143616 0.008990 0.565209 Re\n0.643616 0.991010 0.934791 Re\n0.856384 0.991010 0.434791 Re\n0.356384 0.008990 0.065209 Re\n0.170768 0.243001 0.315229 Te\n0.670768 0.756999 0.184771 Te\n0.829232 0.756999 0.684771 Te\n0.329232 0.243001 0.815229 Te\n0.805683 0.263722 0.519722 Te\n0.305683 0.736278 0.980278 Te\n0.194317 0.736278 0.480278 Te\n0.694317 0.263722 0.019722 Te\n0.306787 0.042281 0.460745 Cl\n0.806787 0.957719 0.039255 Cl\n0.693213 0.957719 0.539255 Cl\n0.193213 0.042281 0.960745 Cl\n0.177221 0.781617 0.620060 Cl\n0.677221 0.218383 0.879940 Cl\n0.822779 0.218383 0.379940 Cl\n0.322779 0.781617 0.120060 Cl\n0.109497 0.234002 0.514667 Cl\n0.609497 0.765998 0.985333 Cl\n0.890503 0.765998 0.485333 Cl\n0.390503 0.234002 0.014667 Cl\n0.323376 0.016211 0.646421 Cl\n0.823376 0.983789 0.853579 Cl\n0.676624 0.983789 0.353579 Cl\n0.176624 0.016211 0.146421 Cl\n0.975929 0.980189 0.668497 Cl\n0.475929 0.019811 0.831503 Cl\n0.024071 0.019811 0.331503 Cl\n0.524071 0.980189 0.168497 Cl\n0.051717 0.358309 0.193153 Cl\n0.551717 0.641691 0.306847 Cl\n0.948283 0.641691 0.806847 Cl\n0.448283 0.358309 0.693153 Cl\n0.353828 0.185679 0.255066 Cl\n0.853828 0.814321 0.244934 Cl\n0.646172 0.814321 0.744934 Cl\n0.146172 0.185679 0.755066 Cl\n0.285262 0.426342 0.309635 Cl\n0.785262 0.573658 0.190365 Cl\n0.714738 0.573658 0.690365 Cl\n0.214738 0.426342 0.809635 Cl\n0.860339 0.472223 0.432261 Cl\n0.360339 0.527777 0.067739 Cl\n0.139661 0.527777 0.567739 Cl\n0.639661 0.472223 0.932261 Cl\n0.812386 0.301043 0.635669 Cl\n0.312386 0.698957 0.864331 Cl\n0.187614 0.698957 0.364331 Cl\n0.687614 0.301043 0.135669 Cl\n0.559658 0.298684 0.504031 Cl\n0.059658 0.701316 0.995969 Cl\n0.440342 0.701316 0.495969 Cl\n0.940342 0.298684 0.004031 Cl\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Na2 As2 H8 O10\n1.0\n7.222738 0.000000 0.000000\n0.000000 5.631777 0.000000\n0.000000 0.258863 5.912656\nNa As H O\n2 2 8 10\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.250000 0.314434 0.475729 As\n0.750000 0.685566 0.524271 As\n0.556171 0.262841 0.587067 H\n0.056171 0.737159 0.412933 H\n0.443829 0.737159 0.412933 H\n0.943829 0.262841 0.587067 H\n0.250000 0.669829 0.800504 H\n0.750000 0.330171 0.199496 H\n0.250000 0.555292 0.047558 H\n0.750000 0.444708 0.952442 H\n0.431990 0.197585 0.643686 O\n0.931990 0.802415 0.356314 O\n0.568010 0.802415 0.356314 O\n0.068010 0.197585 0.643686 O\n0.250000 0.229601 0.206567 O\n0.750000 0.770399 0.793433 O\n0.250000 0.618218 0.499485 O\n0.750000 0.381782 0.500515 O\n0.250000 0.709998 0.962580 O\n0.750000 0.290002 0.037420 O\n",
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