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{
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{
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"spacegroup": 123
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{
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"created_at": "2022-09-04T14:40:20.988533Z",
"structure_string": "Fe6 P18 O54\n1.0\n9.702942 6.694069 0.000000\n-9.702942 6.694069 0.000000\n0.000000 5.760741 7.666378\nFe P O\n6 18 54\ndirect\n0.074674 0.233337 0.071502 Fe\n0.233337 0.074674 0.571502 Fe\n0.927951 0.416746 0.539025 Fe\n0.416746 0.927951 0.039025 Fe\n0.563298 0.740167 0.574038 Fe\n0.740167 0.563298 0.074038 Fe\n0.322053 0.259556 0.747906 P\n0.259556 0.322053 0.247906 P\n0.000472 0.603453 0.724472 P\n0.603453 0.000472 0.224472 P\n0.943664 0.668791 0.226003 P\n0.668791 0.943664 0.726003 P\n0.868552 0.909530 0.845676 P\n0.909530 0.868552 0.345676 P\n0.215940 0.588927 0.826300 P\n0.588927 0.215940 0.326300 P\n0.481825 0.536290 0.408569 P\n0.536290 0.481825 0.908569 P\n0.283812 0.573296 0.281641 P\n0.573296 0.283812 0.781641 P\n0.219991 0.828865 0.877097 P\n0.828865 0.219991 0.377097 P\n0.886422 0.159056 0.885338 P\n0.159056 0.886422 0.385338 P\n0.298992 0.482708 0.190620 O\n0.482708 0.298992 0.690620 O\n0.180474 0.448503 0.957782 O\n0.448503 0.180474 0.457782 O\n0.011975 0.229157 0.900810 O\n0.229157 0.011975 0.400810 O\n0.137998 0.489645 0.441877 O\n0.489645 0.137998 0.941877 O\n0.492774 0.914604 0.197560 O\n0.914604 0.492774 0.697560 O\n0.568254 0.640522 0.441865 O\n0.640522 0.568254 0.941865 O\n0.398853 0.597058 0.338381 O\n0.597058 0.398853 0.838381 O\n0.129372 0.238849 0.247626 O\n0.238849 0.129372 0.747626 O\n0.334347 0.716556 0.138430 O\n0.716556 0.334347 0.638430 O\n0.092825 0.552236 0.784040 O\n0.552236 0.092825 0.284040 O\n0.565220 0.836957 0.710728 O\n0.836957 0.565220 0.210728 O\n0.766779 0.809473 0.497704 O\n0.809473 0.766779 0.997704 O\n0.350146 0.395273 0.592046 O\n0.395273 0.350146 0.092046 O\n0.358589 0.683215 0.657668 O\n0.683215 0.358589 0.157668 O\n0.194990 0.673732 0.924590 O\n0.673732 0.194990 0.424590 O\n0.791073 0.081447 0.537530 O\n0.081447 0.791073 0.037530 O\n0.746453 0.125768 0.040298 O\n0.125768 0.746453 0.540298 O\n0.633883 0.919858 0.350110 O\n0.919858 0.633883 0.850110 O\n0.498785 0.558903 0.789804 O\n0.558903 0.498785 0.289804 O\n0.918655 0.347254 0.376802 O\n0.347254 0.918655 0.876802 O\n0.256576 0.255828 0.915265 O\n0.255828 0.256576 0.415265 O\n0.891952 0.216511 0.214611 O\n0.216511 0.891952 0.714611 O\n0.896903 0.236245 0.716418 O\n0.236245 0.896903 0.216418 O\n0.606833 0.985332 0.850546 O\n0.985332 0.606833 0.350546 O\n0.762809 0.887758 0.774326 O\n0.887758 0.762809 0.274326 O\n0.847081 0.000654 0.932464 O\n0.000654 0.847081 0.432464 O\n0.987975 0.018470 0.195972 O\n0.018470 0.987975 0.695972 O\n",
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"formula_full": "Fe6 P18 O54",
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{
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{
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"structure_string": "Y4 Co4 O14\n1.0\n0.000000 4.957435 4.957435\n4.957435 0.000000 4.957435\n4.957435 4.957435 0.000000\nY Co O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Y\n0.625000 0.125000 0.625000 Y\n0.125000 0.625000 0.625000 Y\n0.625000 0.625000 0.625000 Y\n0.125000 0.125000 0.625000 Co\n0.125000 0.625000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.047214 0.452786 0.047214 O\n0.797214 0.202786 0.797214 O\n0.047214 0.047214 0.452786 O\n0.452786 0.047214 0.047214 O\n0.047214 0.452786 0.452786 O\n0.452786 0.452786 0.047214 O\n0.452786 0.047214 0.452786 O\n0.202786 0.797214 0.797214 O\n0.797214 0.202786 0.202786 O\n0.202786 0.797214 0.202786 O\n0.797214 0.797214 0.202786 O\n0.202786 0.202786 0.797214 O\n",
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{
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"structure_string": "Li3 V6 P12 H6 O48\n1.0\n7.755206 0.000000 0.000000\n-0.008732 7.895353 0.000000\n-2.035933 -0.015580 13.468503\nLi V P H O\n3 6 12 6 48\ndirect\n0.032554 0.133418 0.181911 Li\n0.627610 0.866999 0.481887 Li\n0.208715 0.370250 0.851894 Li\n0.169125 0.506560 0.166047 V\n0.654905 0.995026 0.166173 V\n0.500932 0.493113 0.499182 V\n0.008989 0.006126 0.502872 V\n0.331680 0.992533 0.832185 V\n0.825249 0.504574 0.833284 V\n0.278070 0.155032 0.045685 P\n0.779921 0.352441 0.048081 P\n0.049499 0.847733 0.288758 P\n0.111317 0.352435 0.380640 P\n0.560195 0.642898 0.285567 P\n0.612638 0.147766 0.379395 P\n0.385967 0.841418 0.621251 P\n0.448120 0.341854 0.711092 P\n0.889646 0.645654 0.618459 P\n0.942459 0.145593 0.716026 P\n0.219848 0.651980 0.954398 P\n0.720308 0.853573 0.952293 P\n0.512618 0.489914 0.005888 H\n0.316033 0.991025 0.327197 H\n0.846273 0.494525 0.338716 H\n0.170952 0.501034 0.666659 H\n0.666631 0.003660 0.668088 H\n0.986103 0.989121 0.992048 H\n0.118931 0.054833 0.063600 O\n0.193534 0.672590 0.064346 O\n0.278837 0.329487 0.094284 O\n0.449054 0.058012 0.095337 O\n0.616435 0.450408 0.062862 O\n0.062917 0.671046 0.247307 O\n0.703651 0.837396 0.064074 O\n0.126498 0.324250 0.270011 O\n0.780406 0.173932 0.096651 O\n0.207037 0.959618 0.271428 O\n0.945725 0.443223 0.100689 O\n0.389925 0.559121 0.233886 O\n0.565372 0.826072 0.235236 O\n0.032418 0.839896 0.400937 O\n0.633697 0.156448 0.266075 O\n0.721882 0.549907 0.270343 O\n0.103586 0.172898 0.431845 O\n0.890787 0.946732 0.232556 O\n0.278606 0.439883 0.431645 O\n0.458642 0.036861 0.394315 O\n0.539048 0.672908 0.395940 O\n0.604947 0.327451 0.418613 O\n0.055531 0.551974 0.608101 O\n0.778356 0.053644 0.433792 O\n0.217018 0.940049 0.569834 O\n0.949479 0.449000 0.398193 O\n0.389147 0.668344 0.571691 O\n0.471792 0.325461 0.601409 O\n0.546629 0.942195 0.603532 O\n0.724053 0.553638 0.565238 O\n0.106649 0.052071 0.766535 O\n0.885735 0.825267 0.570066 O\n0.285975 0.441822 0.728179 O\n0.364666 0.825229 0.731107 O\n0.964986 0.160930 0.603384 O\n0.441524 0.168732 0.760131 O\n0.614872 0.439759 0.764957 O\n0.053098 0.554595 0.899105 O\n0.775227 0.052207 0.726406 O\n0.225998 0.829014 0.909204 O\n0.864001 0.659472 0.730732 O\n0.296022 0.172187 0.934367 O\n0.946647 0.324236 0.765542 O\n0.373675 0.542685 0.937632 O\n0.557083 0.941850 0.899698 O\n0.729785 0.672262 0.905880 O\n0.797298 0.339327 0.935405 O\n0.884409 0.950059 0.935472 O\n",
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{
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{
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