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{
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{
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{
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"structure_string": "Al12 P12 C16 N4 O52\n1.0\n17.640792 0.000000 0.000000\n0.000000 8.684897 0.000000\n0.000000 5.570959 8.948309\nAl P C N O\n12 12 16 4 52\ndirect\n0.702175 0.231824 0.211783 Al\n0.797825 0.231824 0.711783 Al\n0.297825 0.768176 0.788217 Al\n0.202175 0.768176 0.288217 Al\n0.827182 0.674617 0.811875 Al\n0.672818 0.674617 0.311875 Al\n0.172818 0.325383 0.188125 Al\n0.327182 0.325383 0.688125 Al\n0.888045 0.024466 0.334360 Al\n0.611955 0.024466 0.834360 Al\n0.111955 0.975534 0.665640 Al\n0.388045 0.975534 0.165640 Al\n0.073240 0.977157 0.366363 P\n0.426760 0.977157 0.866363 P\n0.926760 0.022843 0.633637 P\n0.573240 0.022843 0.133637 P\n0.836223 0.245494 0.002496 P\n0.663777 0.245494 0.502496 P\n0.163777 0.754506 0.997504 P\n0.336223 0.754506 0.497504 P\n0.711016 0.675176 0.030824 P\n0.788984 0.675176 0.530824 P\n0.288984 0.324824 0.969176 P\n0.211016 0.324824 0.469176 P\n0.517503 0.500119 0.948023 C\n0.982497 0.500119 0.448023 C\n0.482497 0.499881 0.051977 C\n0.017503 0.499881 0.551977 C\n0.549711 0.528862 0.827729 C\n0.950289 0.528862 0.327729 C\n0.450289 0.471138 0.172271 C\n0.049711 0.471138 0.672271 C\n0.519141 0.924607 0.525214 C\n0.980859 0.924607 0.025214 C\n0.480859 0.075393 0.474786 C\n0.019141 0.075393 0.974786 C\n0.552109 0.775863 0.586402 C\n0.947891 0.775863 0.086402 C\n0.447891 0.224137 0.413598 C\n0.052109 0.224137 0.913598 C\n0.567053 0.618297 0.696267 N\n0.932947 0.618297 0.196267 N\n0.432947 0.381703 0.303733 N\n0.067053 0.381703 0.803733 N\n0.094128 0.180985 0.266608 O\n0.405872 0.180985 0.766608 O\n0.905872 0.819015 0.733392 O\n0.594128 0.819015 0.233392 O\n0.893684 0.130699 0.129588 O\n0.606316 0.130699 0.629588 O\n0.106316 0.869301 0.870412 O\n0.393684 0.869301 0.370412 O\n0.692337 0.475114 0.093965 O\n0.807663 0.475114 0.593965 O\n0.307663 0.524886 0.906035 O\n0.192337 0.524886 0.406035 O\n0.089392 0.904916 0.533418 O\n0.410608 0.904916 0.033418 O\n0.910608 0.095084 0.466582 O\n0.589392 0.095084 0.966582 O\n0.642795 0.790831 0.939075 O\n0.857205 0.790831 0.439075 O\n0.357205 0.209169 0.060925 O\n0.142795 0.209169 0.560925 O\n0.989155 0.953625 0.345423 O\n0.510845 0.953625 0.845423 O\n0.010845 0.046375 0.654577 O\n0.489155 0.046375 0.154577 O\n0.729415 0.703827 0.161437 O\n0.770585 0.703827 0.661437 O\n0.270585 0.296173 0.838563 O\n0.229415 0.296173 0.338563 O\n0.754641 0.208412 0.067084 O\n0.745359 0.208412 0.567084 O\n0.245359 0.791588 0.932916 O\n0.254641 0.791588 0.432916 O\n0.840561 0.193532 0.884853 O\n0.659439 0.193532 0.384853 O\n0.159439 0.806468 0.115147 O\n0.340561 0.806468 0.615147 O\n0.118478 0.863279 0.321241 O\n0.381522 0.863279 0.821241 O\n0.881522 0.136721 0.678759 O\n0.618478 0.136721 0.178759 O\n0.794151 0.144070 0.298782 O\n0.705849 0.144070 0.798782 O\n0.205849 0.855930 0.701218 O\n0.294151 0.855930 0.201218 O\n0.781550 0.734898 0.927819 O\n0.718450 0.734898 0.427819 O\n0.218450 0.265102 0.072181 O\n0.281550 0.265102 0.572181 O\n0.857713 0.449100 0.928363 O\n0.642287 0.449100 0.428363 O\n0.142287 0.550900 0.071637 O\n0.357713 0.550900 0.571637 O\n",
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"density_atomic": 0.07002409568834642,
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"formula_full": "Al12 P12 C16 N4 O52",
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{
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"created_at": "2022-09-04T14:48:04.579487Z",
"structure_string": "Rb2 Sc1 Tl1 Br6\n1.0\n0.000000 5.842244 5.842244\n5.842244 0.000000 5.842244\n5.842244 5.842244 0.000000\nRb Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.772146 0.227854 0.227854 Br\n0.227854 0.227854 0.772146 Br\n0.227854 0.772146 0.772146 Br\n0.227854 0.772146 0.227854 Br\n0.772146 0.227854 0.772146 Br\n0.772146 0.772146 0.227854 Br\n",
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{
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"structure_string": "Na12 V4 As2 C8 O32\n1.0\n0.000000 7.103936 7.103936\n7.103936 0.000000 7.103936\n7.103936 7.103936 0.000000\nNa V As C O\n12 4 2 8 32\ndirect\n0.291326 0.291326 0.708674 Na\n0.958674 0.541326 0.541326 Na\n0.708674 0.291326 0.708674 Na\n0.291326 0.708674 0.291326 Na\n0.541326 0.958674 0.958674 Na\n0.541326 0.541326 0.958674 Na\n0.708674 0.291326 0.291326 Na\n0.708674 0.708674 0.291326 Na\n0.541326 0.958674 0.541326 Na\n0.958674 0.541326 0.958674 Na\n0.291326 0.708674 0.708674 Na\n0.958674 0.958674 0.541326 Na\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.125000 0.625000 0.125000 V\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 As\n0.267789 0.910737 0.910737 C\n0.910737 0.267789 0.910737 C\n0.910737 0.910737 0.910737 C\n0.910737 0.910737 0.267789 C\n0.339263 0.339263 0.982211 C\n0.339263 0.339263 0.339263 C\n0.339263 0.982211 0.339263 C\n0.982211 0.339263 0.339263 C\n0.225934 0.480319 0.313893 O\n0.979853 0.313893 0.480319 O\n0.270147 0.024066 0.936107 O\n0.024066 0.270147 0.769681 O\n0.270147 0.769681 0.024066 O\n0.570135 0.570135 0.289595 O\n0.936107 0.024066 0.769681 O\n0.570135 0.289595 0.570135 O\n0.570135 0.570135 0.570135 O\n0.936107 0.270147 0.024066 O\n0.769681 0.270147 0.936107 O\n0.289595 0.570135 0.570135 O\n0.024066 0.936107 0.270147 O\n0.769681 0.936107 0.024066 O\n0.936107 0.769681 0.270147 O\n0.480319 0.225934 0.979853 O\n0.769681 0.024066 0.270147 O\n0.313893 0.480319 0.979853 O\n0.480319 0.313893 0.225934 O\n0.225934 0.313893 0.979853 O\n0.960405 0.679865 0.679865 O\n0.480319 0.979853 0.313893 O\n0.313893 0.979853 0.225934 O\n0.679865 0.960405 0.679865 O\n0.679865 0.679865 0.679865 O\n0.313893 0.225934 0.480319 O\n0.679865 0.679865 0.960405 O\n0.979853 0.480319 0.225934 O\n0.225934 0.979853 0.480319 O\n0.979853 0.225934 0.313893 O\n0.270147 0.936107 0.769681 O\n0.024066 0.769681 0.936107 O\n",
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{
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"formula_full": "Al3 Si1 Mo12",
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{
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"structure_string": "Ho4 P16 H4 O48\n1.0\n7.187243 0.000000 0.000000\n0.000000 9.780774 0.000000\n0.000000 2.668207 13.518678\nHo P H O\n4 16 4 48\ndirect\n0.555658 0.441299 0.729733 Ho\n0.055658 0.058701 0.270267 Ho\n0.444342 0.558701 0.270267 Ho\n0.944342 0.941299 0.729733 Ho\n0.174646 0.374897 0.901148 P\n0.674646 0.125103 0.098852 P\n0.825354 0.625103 0.098852 P\n0.325354 0.874897 0.901148 P\n0.654595 0.688623 0.897522 P\n0.154595 0.811377 0.102478 P\n0.345405 0.311377 0.102478 P\n0.845405 0.188623 0.897522 P\n0.787561 0.293302 0.386390 P\n0.287561 0.206698 0.613610 P\n0.212439 0.706698 0.613610 P\n0.712439 0.793302 0.386390 P\n0.896365 0.287308 0.595162 P\n0.396365 0.212692 0.404838 P\n0.103635 0.712692 0.404838 P\n0.603635 0.787308 0.595162 P\n0.131580 0.556964 0.792582 H\n0.631580 0.943036 0.207418 H\n0.868420 0.443036 0.207418 H\n0.368420 0.056964 0.792582 H\n0.477470 0.761153 0.942119 O\n0.977470 0.738847 0.057881 O\n0.522530 0.238847 0.057881 O\n0.022530 0.261153 0.942119 O\n0.266221 0.403657 0.000492 O\n0.766221 0.096343 0.999508 O\n0.733779 0.596343 0.999508 O\n0.233779 0.903657 0.000492 O\n0.618153 0.186481 0.416424 O\n0.118153 0.313519 0.583576 O\n0.381847 0.813519 0.583576 O\n0.881847 0.686481 0.416424 O\n0.825241 0.353566 0.484951 O\n0.325241 0.146434 0.515049 O\n0.174759 0.646434 0.515049 O\n0.674759 0.853566 0.484951 O\n0.312417 0.330919 0.832497 O\n0.812417 0.169081 0.167503 O\n0.687583 0.669081 0.167503 O\n0.187583 0.830919 0.832497 O\n0.582625 0.587603 0.838357 O\n0.082625 0.912397 0.161643 O\n0.417375 0.412397 0.161643 O\n0.917375 0.087603 0.838357 O\n0.707301 0.297875 0.855700 O\n0.207301 0.202125 0.144300 O\n0.292699 0.702125 0.144300 O\n0.792699 0.797875 0.855700 O\n0.449502 0.291773 0.636809 O\n0.949502 0.208227 0.363191 O\n0.550498 0.708227 0.363191 O\n0.050498 0.791773 0.636809 O\n0.270393 0.583232 0.692045 O\n0.770393 0.916768 0.307955 O\n0.729607 0.416768 0.307955 O\n0.229607 0.083232 0.692045 O\n0.640006 0.632970 0.618428 O\n0.140006 0.867030 0.381572 O\n0.359994 0.367030 0.381572 O\n0.859994 0.132970 0.618428 O\n0.825213 0.379274 0.661652 O\n0.325213 0.120726 0.338348 O\n0.174787 0.620726 0.338348 O\n0.674787 0.879274 0.661652 O\n0.069902 0.512616 0.857433 O\n0.569902 0.987384 0.142567 O\n0.930098 0.487384 0.142567 O\n0.430098 0.012616 0.857433 O\n",
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{
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