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{
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{
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{
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"structure_string": "Li12 Sn8 P12 O48\n1.0\n9.338238 0.000000 0.000000\n0.000000 8.737574 0.000000\n0.000000 8.629429 12.894369\nLi Sn P O\n12 8 12 48\ndirect\n0.973498 0.280549 0.141972 Li\n0.417957 0.616921 0.812132 Li\n0.734110 0.992679 0.303013 Li\n0.234110 0.007321 0.196987 Li\n0.917957 0.383079 0.687868 Li\n0.473498 0.719451 0.358028 Li\n0.526502 0.280549 0.641972 Li\n0.082043 0.616921 0.312132 Li\n0.765890 0.992679 0.803013 Li\n0.265890 0.007321 0.696987 Li\n0.582043 0.383079 0.187868 Li\n0.026502 0.719451 0.858028 Li\n0.047371 0.869544 0.410227 Sn\n0.464700 0.650657 0.602632 Sn\n0.964700 0.349343 0.897368 Sn\n0.547371 0.130456 0.089773 Sn\n0.452629 0.869544 0.910227 Sn\n0.035300 0.650657 0.102632 Sn\n0.535300 0.349343 0.397368 Sn\n0.952629 0.130456 0.589773 Sn\n0.238218 0.435148 0.012377 P\n0.410143 0.038834 0.355653 P\n0.134876 0.702339 0.680031 P\n0.634876 0.297661 0.819969 P\n0.910143 0.961166 0.144347 P\n0.738218 0.564852 0.487623 P\n0.261782 0.435148 0.512377 P\n0.089857 0.038834 0.855653 P\n0.365124 0.702339 0.180031 P\n0.865124 0.297661 0.319969 P\n0.589857 0.961166 0.644347 P\n0.761782 0.564852 0.987623 P\n0.644201 0.419421 0.049023 O\n0.884916 0.180898 0.274608 O\n0.840952 0.546501 0.903748 O\n0.588483 0.854956 0.590355 O\n0.124411 0.476472 0.926825 O\n0.534055 0.102541 0.276751 O\n0.093974 0.808648 0.565645 O\n0.263482 0.050857 0.308286 O\n0.299670 0.652130 0.691857 O\n0.292161 0.237201 0.068109 O\n0.434935 0.825247 0.442359 O\n0.042333 0.521621 0.740961 O\n0.542333 0.478379 0.759039 O\n0.934935 0.174753 0.057641 O\n0.792161 0.762799 0.431891 O\n0.799670 0.347870 0.808143 O\n0.763482 0.949143 0.191714 O\n0.593974 0.191352 0.934355 O\n0.034055 0.897459 0.223249 O\n0.624411 0.523528 0.573175 O\n0.088483 0.145044 0.909645 O\n0.340952 0.453499 0.596252 O\n0.384916 0.819102 0.225392 O\n0.144201 0.580579 0.450977 O\n0.855799 0.419421 0.549023 O\n0.615084 0.180898 0.774608 O\n0.659048 0.546501 0.403748 O\n0.911517 0.854956 0.090355 O\n0.375589 0.476472 0.426825 O\n0.965945 0.102541 0.776751 O\n0.406026 0.808648 0.065645 O\n0.236518 0.050857 0.808286 O\n0.200330 0.652130 0.191857 O\n0.207839 0.237201 0.568109 O\n0.065065 0.825247 0.942359 O\n0.457667 0.521621 0.240961 O\n0.957667 0.478379 0.259039 O\n0.565065 0.174753 0.557641 O\n0.707839 0.762799 0.931891 O\n0.700330 0.347870 0.308143 O\n0.736518 0.949143 0.691714 O\n0.906026 0.191352 0.434355 O\n0.465945 0.897459 0.723249 O\n0.875589 0.523528 0.073175 O\n0.411517 0.145044 0.409645 O\n0.159048 0.453499 0.096252 O\n0.115084 0.819102 0.725392 O\n0.355799 0.580579 0.950977 O\n",
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"formula_full": "Li12 Sn8 P12 O48",
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{
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"created_at": "2022-09-04T14:40:08.449060Z",
"structure_string": "Ce3 Cu4 P4 O2\n1.0\n-1.945362 1.945362 13.418882\n1.945362 -1.945362 13.418882\n1.945362 1.945362 -13.418882\nCe Cu P O\n3 4 4 2\ndirect\n0.297874 0.297874 0.000000 Ce\n0.702126 0.702126 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.597947 0.097947 0.500000 Cu\n0.402053 0.902053 0.500000 Cu\n0.097947 0.597947 0.500000 Cu\n0.902053 0.402053 0.500000 Cu\n0.455135 0.455135 0.000000 P\n0.544865 0.544865 0.000000 P\n0.146965 0.146965 0.000000 P\n0.853035 0.853035 0.000000 P\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"formula_full": "Ce3 Cu4 P4 O2",
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{
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"created_at": "2022-09-04T14:40:14.962002Z",
"structure_string": "Si8 H20 C4 N4 Cl16\n1.0\n12.313374 0.000000 0.000000\n0.000000 7.839587 0.000000\n0.000000 0.392848 10.634766\nSi H C N Cl\n8 20 4 4 16\ndirect\n0.695121 0.440005 0.202956 Si\n0.195121 0.559995 0.297044 Si\n0.304879 0.559995 0.797044 Si\n0.804879 0.440005 0.702956 Si\n0.546765 0.162127 0.305672 Si\n0.046765 0.837873 0.194328 Si\n0.453235 0.837873 0.694328 Si\n0.953235 0.162127 0.805672 Si\n0.726228 0.153102 0.041424 H\n0.226228 0.846898 0.458576 H\n0.273772 0.846898 0.958576 H\n0.773772 0.153102 0.541424 H\n0.591918 0.218542 0.992351 H\n0.091918 0.781458 0.507649 H\n0.408082 0.781458 0.007649 H\n0.908082 0.218542 0.492351 H\n0.612684 0.024390 0.082571 H\n0.112684 0.975610 0.417429 H\n0.387316 0.975610 0.917429 H\n0.887316 0.024390 0.582571 H\n0.671960 0.513270 0.326155 H\n0.171960 0.486730 0.173845 H\n0.328040 0.486730 0.673845 H\n0.828040 0.513270 0.826155 H\n0.538800 0.279074 0.410915 H\n0.038800 0.720926 0.089085 H\n0.461200 0.720926 0.589085 H\n0.961200 0.279074 0.910915 H\n0.640018 0.157247 0.068977 C\n0.140018 0.842753 0.431023 C\n0.359982 0.842753 0.931023 C\n0.859982 0.157247 0.568977 C\n0.626965 0.249772 0.187486 N\n0.126965 0.750228 0.312514 N\n0.373035 0.750228 0.812514 N\n0.873035 0.249772 0.687486 N\n0.860422 0.401758 0.185356 Cl\n0.360422 0.598242 0.314644 Cl\n0.139578 0.598242 0.814644 Cl\n0.639578 0.401758 0.685356 Cl\n0.653050 0.612406 0.060178 Cl\n0.153050 0.387594 0.439822 Cl\n0.346950 0.387594 0.939822 Cl\n0.846950 0.612406 0.560178 Cl\n0.610980 0.932512 0.372027 Cl\n0.110980 0.067488 0.127973 Cl\n0.389020 0.067488 0.627973 Cl\n0.889020 0.932512 0.872027 Cl\n0.394839 0.105109 0.238748 Cl\n0.894839 0.894891 0.261252 Cl\n0.605161 0.894891 0.761252 Cl\n0.105161 0.105109 0.738748 Cl\n",
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{
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{
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{
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