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{
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{
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"structure_string": "P4 H40 C12 N8 O16 F4\n1.0\n17.884102 0.000000 0.000000\n0.000000 5.597832 0.000000\n0.000000 1.783130 8.516765\nP H C N O F\n4 40 12 8 16 4\ndirect\n0.567814 0.533994 0.188147 P\n0.932186 0.533994 0.688147 P\n0.432186 0.466006 0.811853 P\n0.067814 0.466006 0.311853 P\n0.708902 0.275673 0.767543 H\n0.498202 0.730632 0.913442 H\n0.932916 0.084075 0.008303 H\n0.567084 0.084075 0.508303 H\n0.291098 0.724327 0.232457 H\n0.108605 0.073921 0.813585 H\n0.205602 0.339407 0.311099 H\n0.101000 0.219665 0.977163 H\n0.860516 0.939578 0.516532 H\n0.601000 0.780335 0.522837 H\n0.703836 0.425795 0.929561 H\n0.139484 0.060422 0.483468 H\n0.296164 0.574205 0.070439 H\n0.067084 0.915925 0.991697 H\n0.121166 0.685840 0.644883 H\n0.791098 0.275673 0.267543 H\n0.621166 0.314160 0.855117 H\n0.639484 0.939578 0.016532 H\n0.608605 0.926079 0.686415 H\n0.203836 0.574205 0.570439 H\n0.794398 0.660593 0.688901 H\n0.818987 0.219433 0.915427 H\n0.181013 0.780567 0.084573 H\n0.378834 0.685840 0.144883 H\n0.360516 0.060422 0.983468 H\n0.318987 0.780567 0.584573 H\n0.432916 0.915925 0.491697 H\n0.001798 0.730632 0.413442 H\n0.998202 0.269368 0.586558 H\n0.891395 0.926079 0.186415 H\n0.878834 0.314160 0.355117 H\n0.208902 0.724327 0.732457 H\n0.899000 0.780335 0.022837 H\n0.681013 0.219433 0.415427 H\n0.501798 0.269368 0.086558 H\n0.796164 0.425795 0.429561 H\n0.705602 0.660593 0.188901 H\n0.391395 0.073921 0.313585 H\n0.399000 0.219665 0.477163 H\n0.294398 0.339407 0.811099 H\n0.247344 0.051676 0.957529 C\n0.819521 0.276970 0.379376 C\n0.747344 0.948324 0.542471 C\n0.110953 0.044862 0.942072 C\n0.252656 0.051676 0.457529 C\n0.180479 0.723030 0.620624 C\n0.610953 0.955138 0.557928 C\n0.319521 0.723030 0.120624 C\n0.389047 0.044862 0.442072 C\n0.752656 0.948324 0.042471 C\n0.889047 0.955138 0.057928 C\n0.680479 0.276970 0.879376 C\n0.182559 0.939682 0.001607 N\n0.817441 0.060318 0.998393 N\n0.682559 0.060318 0.498393 N\n0.317441 0.939682 0.501607 N\n0.812902 0.043764 0.488323 N\n0.687098 0.043764 0.988323 N\n0.312902 0.956236 0.011677 N\n0.187098 0.956236 0.511677 N\n0.042408 0.727059 0.329901 O\n0.457592 0.727059 0.829901 O\n0.743175 0.739221 0.643484 O\n0.856358 0.518017 0.767407 O\n0.559418 0.727099 0.039570 O\n0.643642 0.518017 0.267407 O\n0.756825 0.739221 0.143484 O\n0.256825 0.260779 0.356516 O\n0.957592 0.272941 0.670099 O\n0.440582 0.272901 0.960430 O\n0.940582 0.727099 0.539570 O\n0.243175 0.260779 0.856516 O\n0.143642 0.481983 0.232593 O\n0.542408 0.272941 0.170099 O\n0.059418 0.272901 0.460430 O\n0.356358 0.481983 0.732593 O\n0.490457 0.401833 0.687293 F\n0.990457 0.598167 0.812707 F\n0.009543 0.401833 0.187293 F\n0.509543 0.598167 0.312707 F\n",
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"formula_full": "P4 H40 C12 N8 O16 F4",
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{
"id": "mp-1522015",
"created_at": "2022-09-04T14:39:08.966307Z",
"structure_string": "Na1 Sr1 La1 W1 O6\n1.0\n0.000000 -4.087906 -4.087906\n4.087906 -0.000000 -4.087906\n4.087906 -4.087906 -0.000000\nNa Sr La W O\n1 1 1 1 6\ndirect\n-0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 W\n0.736661 0.263339 0.263339 O\n0.263339 0.736661 0.736661 O\n0.736661 0.263339 0.736661 O\n0.263339 0.736661 0.263339 O\n0.736661 0.736661 0.263339 O\n0.263339 0.263339 0.736661 O\n",
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{
"id": "mp-640740",
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"structure_string": "Na24 B52 O90\n1.0\n9.300867 -0.000700 -2.538331\n-0.860582 10.236786 -3.152030\n0.008815 0.008064 18.349756\nNa B O\n24 52 90\ndirect\n0.389472 0.310578 0.908351 Na\n0.718777 0.321984 0.753585 Na\n0.587991 0.836568 0.407060 Na\n0.305838 0.197279 0.398925 Na\n0.035758 0.823828 0.753610 Na\n0.814897 0.332217 0.405925 Na\n0.695842 0.798363 0.600509 Na\n0.038762 0.224542 0.913407 Na\n0.506698 0.298079 0.257123 Na\n0.964922 0.314848 0.090264 Na\n0.496419 0.041569 0.745029 Na\n0.482077 0.899325 0.089846 Na\n0.282043 0.569163 0.246239 Na\n0.092823 0.698300 0.398365 Na\n0.518311 0.808572 0.910265 Na\n0.747558 0.798148 0.253922 Na\n0.876449 0.719669 0.909070 Na\n0.905071 0.299497 0.602296 Na\n0.248169 0.546329 0.745563 Na\n0.966223 0.068747 0.246039 Na\n0.410341 0.430225 0.592780 Na\n0.186276 0.926859 0.593333 Na\n0.611187 0.397606 0.088931 Na\n0.124256 0.814021 0.089381 Na\n0.922044 0.015987 0.047649 B\n0.603117 0.231456 0.540152 B\n0.792089 0.854642 0.087063 B\n0.567204 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O\n0.847042 0.343487 0.956874 O\n0.164698 0.318055 0.716315 O\n0.341887 0.252749 0.646143 O\n0.161751 0.213921 0.817744 O\n0.050931 0.418387 0.820094 O\n0.265142 0.284555 0.141837 O\n",
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{
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"structure_string": "Ca3 Cd1 O4\n1.0\n3.395370 -4.818791 0.000000\n3.395370 4.818791 0.000000\n0.000000 0.000000 3.422728\nCa Cd O\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.253219 0.746781 0.000000 O\n0.745589 0.745589 0.500000 O\n0.254411 0.254411 0.500000 O\n0.746781 0.253219 0.000000 O\n",
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{
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"structure_string": "Rb2 Ba8 Ca1 Sb6 O2\n1.0\n8.628227 -0.362976 -3.897241\n-2.303270 8.100155 -3.847982\n0.005252 0.116575 10.481182\nRb Ba Ca Sb O\n2 8 1 6 2\ndirect\n0.004023 0.007531 0.000075 Rb\n0.412672 0.412425 0.813199 Rb\n0.507862 0.722325 0.693136 Ba\n0.197720 0.987446 0.701439 Ba\n0.827233 0.038844 0.325834 Ba\n0.992663 0.545517 0.741157 Ba\n0.512950 0.300494 0.326332 Ba\n0.759015 0.206102 0.739476 Ba\n0.025877 0.487532 0.292951 Ba\n0.272541 0.823989 0.292633 Ba\n0.589407 0.593189 0.171396 Ca\n0.825264 0.641277 0.022549 Sb\n0.618643 0.144945 0.012831 Sb\n0.208297 0.396029 0.024005 Sb\n0.406036 0.878861 0.012746 Sb\n0.219716 0.227055 0.428940 Sb\n0.776251 0.773196 0.537503 Sb\n0.771596 0.271484 0.532356 O\n0.257949 0.763188 0.506442 O\n",
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