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{
"id": "mp-1228984",
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{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.617992 0.000000 0.000000\n-0.118569 8.791155 0.000000\n-0.347921 -0.022688 11.986829\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.065036 0.486233 0.347695 Li\n0.078887 0.914073 0.690077 Li\n0.180481 0.220557 0.177912 Li\n0.321006 0.722415 0.322736 Li\n0.418796 0.413309 0.809702 Li\n0.435535 0.988983 0.153887 Li\n0.563864 0.015158 0.847089 Li\n0.580623 0.585358 0.191212 Li\n0.679935 0.277009 0.677886 Li\n0.820639 0.778906 0.822591 Li\n0.921154 0.085363 0.309844 Li\n0.935179 0.513136 0.651964 Li\n0.252441 0.035701 0.391977 Mn\n0.748080 0.964775 0.608190 Mn\n0.752075 0.463363 0.891128 Mn\n0.751638 0.027815 0.106815 Mn\n0.244219 0.971986 0.895258 V\n0.245825 0.534840 0.108130 V\n0.254109 0.472171 0.606205 V\n0.745212 0.527261 0.394687 V\n0.043219 0.750391 0.489676 P\n0.113821 0.617700 0.846170 P\n0.116431 0.887238 0.147871 P\n0.384334 0.117838 0.651938 P\n0.385418 0.389191 0.353595 P\n0.456031 0.252584 0.010597 P\n0.543212 0.751145 0.989360 P\n0.616382 0.610660 0.648854 P\n0.615570 0.881855 0.349171 P\n0.883951 0.110608 0.851466 P\n0.883633 0.381118 0.149475 P\n0.956909 0.249797 0.509941 P\n0.051164 0.107151 0.895329 O\n0.044944 0.129884 0.445671 O\n0.054900 0.335191 0.601202 O\n0.055841 0.420104 0.187243 O\n0.101476 0.637268 0.581278 O\n0.125075 0.794136 0.829581 O\n0.139194 0.579468 0.969512 O\n0.130819 0.006049 0.248400 O\n0.176233 0.730302 0.188146 O\n0.188788 0.821216 0.434107 O\n0.229832 0.529079 0.776244 O\n0.236800 0.950062 0.062708 O\n0.266088 0.448786 0.437749 O\n0.267581 0.028641 0.723308 O\n0.311090 0.324172 0.065012 O\n0.326890 0.230015 0.312336 O\n0.362295 0.080283 0.527436 O\n0.372417 0.506067 0.254064 O\n0.372465 0.294251 0.668890 O\n0.399367 0.139977 0.917659 O\n0.445722 0.836252 0.900120 O\n0.446206 0.917451 0.309179 O\n0.448697 0.604937 0.605396 O\n0.451510 0.632635 0.056075 O\n0.546180 0.374543 0.946529 O\n0.553006 0.391577 0.397807 O\n0.554179 0.081688 0.690961 O\n0.549583 0.170409 0.103125 O\n0.601790 0.864305 0.084452 O\n0.628422 0.705389 0.331305 O\n0.629870 0.492035 0.749002 O\n0.636325 0.918212 0.473987 O\n0.672575 0.769734 0.689438 O\n0.686494 0.681331 0.935158 O\n0.732874 0.972823 0.279830 O\n0.734726 0.550784 0.563934 O\n0.763352 0.048969 0.935407 O\n0.769658 0.468548 0.221569 O\n0.811257 0.179775 0.565611 O\n0.829081 0.268223 0.809959 O\n0.870981 0.992671 0.750068 O\n0.862194 0.419325 0.025341 O\n0.875253 0.203086 0.165943 O\n0.899358 0.363067 0.418049 O\n0.942380 0.580282 0.807614 O\n0.945788 0.664535 0.398362 O\n0.954745 0.870185 0.553819 O\n0.950887 0.886588 0.102989 O\n",
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"formula_full": "Li12 Mn4 V4 P12 O48",
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{
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"created_at": "2022-09-04T14:46:34.785453Z",
"structure_string": "K1 Th6 F25\n1.0\n8.844835 -4.186804 0.000000\n8.844835 4.186804 0.000000\n6.862964 0.000000 6.975684\nK Th F\n1 6 25\ndirect\n0.000000 0.000000 0.000000 K\n0.908778 0.408253 0.408253 Th\n0.408253 0.908778 0.408253 Th\n0.591747 0.091222 0.591747 Th\n0.591747 0.591747 0.091222 Th\n0.091222 0.591747 0.591747 Th\n0.408253 0.408253 0.908778 Th\n0.252661 0.252661 0.688667 F\n0.688667 0.252661 0.252661 F\n0.252661 0.688667 0.252661 F\n0.747339 0.311333 0.747339 F\n0.747339 0.747339 0.311333 F\n0.311333 0.747339 0.747339 F\n0.549959 0.549959 0.549959 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n0.551661 0.126787 0.126787 F\n0.126787 0.126787 0.551661 F\n0.126787 0.551661 0.126787 F\n0.873213 0.448339 0.873213 F\n0.448339 0.873213 0.873213 F\n0.873213 0.873213 0.448339 F\n0.178086 0.821914 0.500000 F\n0.821914 0.500000 0.178086 F\n0.500000 0.178086 0.821914 F\n0.821914 0.178086 0.500000 F\n0.178086 0.500000 0.821914 F\n0.500000 0.821914 0.178086 F\n0.210001 0.210001 0.210001 F\n0.789999 0.789999 0.789999 F\n0.450041 0.450041 0.450041 F\n",
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"formula_full": "K1 Th6 F25",
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{
"id": "mp-1215853",
"created_at": "2022-09-04T14:46:37.665805Z",
"structure_string": "Yb1 Tm2 Se4\n1.0\n4.085884 0.000000 0.000000\n0.000000 6.962518 0.000000\n0.000000 2.224830 6.828916\nYb Tm Se\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.757319 0.240978 Se\n0.000000 0.257501 0.232363 Se\n0.500000 0.242681 0.759022 Se\n0.000000 0.742499 0.767637 Se\n",
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{
"id": "mp-1215857",
"created_at": "2022-09-04T14:46:37.790507Z",
"structure_string": "Yb1 Y2 Se4\n1.0\n4.140078 0.000000 0.000000\n0.000000 7.059321 0.000000\n0.000000 2.239108 6.855617\nYb Y Se\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.756084 0.244256 Se\n0.000000 0.258486 0.233275 Se\n0.500000 0.243916 0.755744 Se\n0.000000 0.741514 0.766725 Se\n",
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{
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"created_at": "2022-09-04T14:46:37.778375Z",
"structure_string": "Rb2 Na2 Ca2 Th2 Si16 O40\n1.0\n7.683264 0.000000 0.000000\n0.000000 7.683264 0.000000\n0.000000 0.000000 14.863636\nRb Na Ca Th Si O\n2 2 2 2 16 40\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.250000 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Th\n0.000000 0.000000 0.750000 Th\n0.333070 0.262170 0.390638 Si\n0.666930 0.737830 0.390638 Si\n0.733969 0.334974 0.391089 Si\n0.266031 0.665026 0.391089 Si\n0.665026 0.266031 0.891089 Si\n0.334974 0.733969 0.891089 Si\n0.262170 0.333070 0.890638 Si\n0.737830 0.666930 0.890638 Si\n0.665026 0.733969 0.608911 Si\n0.334974 0.266031 0.608911 Si\n0.262170 0.666930 0.609362 Si\n0.737830 0.333070 0.609362 Si\n0.333070 0.737830 0.109362 Si\n0.666930 0.262170 0.109362 Si\n0.733969 0.665026 0.108911 Si\n0.266031 0.334974 0.108911 Si\n0.254581 0.455893 0.362416 O\n0.745419 0.544107 0.362416 O\n0.541400 0.258678 0.363667 O\n0.458600 0.741322 0.363667 O\n0.741322 0.458600 0.863667 O\n0.258678 0.541400 0.863667 O\n0.455893 0.254581 0.862416 O\n0.544107 0.745419 0.862416 O\n0.741322 0.541400 0.636333 O\n0.258678 0.458600 0.636333 O\n0.455893 0.745419 0.637584 O\n0.544107 0.254581 0.637584 O\n0.254581 0.544107 0.137584 O\n0.745419 0.455893 0.137584 O\n0.541400 0.741322 0.136333 O\n0.458600 0.258678 0.136333 O\n0.311816 0.243421 0.500134 O\n0.688184 0.756579 0.500134 O\n0.756579 0.311816 0.499866 O\n0.243421 0.688184 0.499866 O\n0.688184 0.243421 0.999866 O\n0.311816 0.756579 0.999866 O\n0.243421 0.311816 0.000134 O\n0.756579 0.688184 0.000134 O\n0.237273 0.107146 0.339135 O\n0.762727 0.892854 0.339135 O\n0.892833 0.250647 0.336236 O\n0.107167 0.749353 0.336236 O\n0.749353 0.107167 0.836236 O\n0.250647 0.892833 0.836236 O\n0.107146 0.237273 0.839135 O\n0.892854 0.762727 0.839135 O\n0.749353 0.892833 0.663764 O\n0.250647 0.107167 0.663764 O\n0.107146 0.762727 0.660865 O\n0.892854 0.237273 0.660865 O\n0.237273 0.892854 0.160865 O\n0.762727 0.107146 0.160865 O\n0.892833 0.749353 0.163764 O\n0.107167 0.250647 0.163764 O\n",
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"formula_full": "Rb2 Na2 Ca2 Th2 Si16 O40",
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{
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"structure_string": "Li10 V6 P16 O58\n1.0\n9.728735 0.000000 0.000000\n4.825037 8.505576 0.000000\n0.146801 0.159772 14.125226\nLi V P O\n10 6 16 58\ndirect\n0.235939 0.093145 0.553465 Li\n0.101221 0.658699 0.558133 Li\n0.236843 0.659289 0.062800 Li\n0.665460 0.098405 0.064400 Li\n0.673915 0.228609 0.555869 Li\n0.326728 0.907710 0.944276 Li\n0.764538 0.334444 0.943845 Li\n0.903828 0.332601 0.433289 Li\n0.004458 0.991110 0.009774 Li\n0.024012 0.951579 0.491163 Li\n0.435337 0.566672 0.254168 V\n0.563714 0.434851 0.744328 V\n0.436772 0.000684 0.750488 V\n0.564588 0.997795 0.252969 V\n0.005073 0.436978 0.243196 V\n0.997552 0.567303 0.755321 V\n0.082041 0.219444 0.838739 P\n0.218660 0.087380 0.340532 P\n0.085345 0.686524 0.344065 P\n0.339707 0.334496 0.131916 P\n0.327328 0.336321 0.631176 P\n0.229122 0.683206 0.843972 P\n0.306232 0.779616 0.660350 P\n0.687682 0.087760 0.844821 P\n0.308967 0.912773 0.158041 P\n0.687086 0.223218 0.340587 P\n0.774319 0.316322 0.158489 P\n0.670648 0.661417 0.367601 P\n0.664672 0.662867 0.867599 P\n0.915220 0.316821 0.654059 P\n0.783126 0.915712 0.662374 P\n0.916389 0.784336 0.161378 P\n0.999790 0.239538 0.563951 O\n0.076973 0.254974 0.334227 O\n0.218991 0.983202 0.068164 O\n0.254108 0.081266 0.840185 O\n0.079213 0.380092 0.828636 O\n0.192946 0.329045 0.176629 O\n0.082075 0.533271 0.332401 O\n0.011337 0.800974 0.082130 O\n0.084056 0.657456 0.834871 O\n0.319506 0.190355 0.670608 O\n0.376030 0.089138 0.327224 O\n0.185023 0.486980 0.678248 O\n0.339505 0.348394 0.026759 O\n0.313952 0.352044 0.526019 O\n0.330698 0.486595 0.175770 O\n0.529748 0.087709 0.827240 O\n0.491164 0.187713 0.170176 O\n0.258427 0.654671 0.331254 O\n0.210921 0.801425 0.758486 O\n0.201561 0.790479 0.580819 O\n0.222574 0.767195 0.933875 O\n0.381193 0.527992 0.828908 O\n0.486227 0.323952 0.666821 O\n0.341793 0.739016 0.163972 O\n0.530250 0.380752 0.327215 O\n0.656462 0.084189 0.339706 O\n0.201864 0.996498 0.249806 O\n0.208374 0.009879 0.430947 O\n0.804080 0.004497 0.581536 O\n0.341900 0.917806 0.659849 O\n0.462318 0.620537 0.669686 O\n0.658867 0.258406 0.831914 O\n0.520053 0.662842 0.320801 O\n0.614812 0.469221 0.172394 O\n0.774516 0.228215 0.071097 O\n0.772415 0.225852 0.428781 O\n0.795897 0.205506 0.250116 O\n0.746024 0.339344 0.655446 O\n0.512136 0.811439 0.829269 O\n0.462649 0.919071 0.167837 O\n0.674773 0.511501 0.825588 O\n0.671851 0.658151 0.972559 O\n0.661968 0.656203 0.472319 O\n0.816007 0.510671 0.326610 O\n0.623276 0.921157 0.669782 O\n0.671757 0.807224 0.323176 O\n0.910907 0.349278 0.158776 O\n0.008044 0.199929 0.740915 O\n0.988292 0.207705 0.919577 O\n0.912637 0.472979 0.674054 O\n0.811708 0.669362 0.820592 O\n0.919140 0.626008 0.166638 O\n0.744170 0.922658 0.160932 O\n0.762804 0.021963 0.938197 O\n0.804517 0.988088 0.760745 O\n0.921913 0.741925 0.663957 O\n0.021989 0.767246 0.436505 O\n0.988376 0.806148 0.259918 O\n",
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