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{
"id": "mp-775341",
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"structure_string": "Na16 Cr4 H32 S4 O28\n1.0\n13.866211 0.000000 0.000000\n0.000000 5.831408 0.000000\n0.000000 2.684101 10.942997\nNa Cr H S O\n16 4 32 4 28\ndirect\n0.684554 0.990705 0.763480 Na\n0.055746 0.749579 0.995098 Na\n0.297878 0.753514 0.975037 Na\n0.815446 0.990705 0.263480 Na\n0.444254 0.749579 0.495098 Na\n0.202122 0.753514 0.475037 Na\n0.793110 0.498544 0.777353 Na\n0.293110 0.501456 0.722647 Na\n0.706890 0.498544 0.277353 Na\n0.206890 0.501456 0.222647 Na\n0.797878 0.246486 0.524963 Na\n0.555746 0.250421 0.504902 Na\n0.184554 0.009295 0.736520 Na\n0.702122 0.246486 0.024963 Na\n0.944254 0.250421 0.004902 Na\n0.315446 0.009295 0.236520 Na\n0.686263 0.750568 0.516335 Cr\n0.813737 0.750568 0.016335 Cr\n0.186263 0.249432 0.983665 Cr\n0.313737 0.249432 0.483665 Cr\n0.356962 0.900848 0.661241 H\n0.463512 0.773840 0.853151 H\n0.923197 0.761144 0.828923 H\n0.850812 0.839058 0.612856 H\n0.642649 0.673677 0.948164 H\n0.551917 0.749913 0.682098 H\n0.122227 0.573908 0.815776 H\n0.143038 0.900848 0.161241 H\n0.036488 0.773840 0.353151 H\n0.576803 0.761144 0.328923 H\n0.649188 0.839058 0.112856 H\n0.464076 0.491577 0.862786 H\n0.857351 0.673677 0.448164 H\n0.948083 0.749913 0.182098 H\n0.964076 0.508423 0.637214 H\n0.622227 0.426092 0.684224 H\n0.377773 0.573908 0.315776 H\n0.035924 0.491577 0.362786 H\n0.051917 0.250087 0.817902 H\n0.142649 0.326323 0.551836 H\n0.535924 0.508423 0.137214 H\n0.350812 0.160942 0.887144 H\n0.423197 0.238856 0.671077 H\n0.963512 0.226160 0.646849 H\n0.856962 0.099152 0.838759 H\n0.877773 0.426092 0.184224 H\n0.448083 0.250087 0.317902 H\n0.357351 0.326323 0.051836 H\n0.149188 0.160942 0.387144 H\n0.076803 0.238856 0.171077 H\n0.536488 0.226160 0.146849 H\n0.643038 0.099152 0.338759 H\n0.014770 0.906672 0.591806 S\n0.485230 0.906672 0.091806 S\n0.514770 0.093328 0.908194 S\n0.985230 0.093328 0.408194 S\n0.307789 0.914833 0.597987 O\n0.580084 0.864209 0.613342 O\n0.781494 0.855335 0.628287 O\n0.706343 0.636906 0.920595 O\n0.910223 0.642688 0.904390 O\n0.428492 0.641199 0.829527 O\n0.177229 0.584719 0.868110 O\n0.192211 0.914833 0.097987 O\n0.919916 0.864209 0.113342 O\n0.718506 0.855335 0.128287 O\n0.793657 0.636906 0.420595 O\n0.589777 0.642688 0.404390 O\n0.071508 0.641199 0.329527 O\n0.322771 0.584719 0.368110 O\n0.677229 0.415281 0.631890 O\n0.928492 0.358801 0.670473 O\n0.410223 0.357312 0.595610 O\n0.206343 0.363094 0.579405 O\n0.281494 0.144665 0.871713 O\n0.080084 0.135791 0.886658 O\n0.807789 0.085167 0.902013 O\n0.822771 0.415281 0.131890 O\n0.571508 0.358801 0.170473 O\n0.089777 0.357312 0.095610 O\n0.293657 0.363094 0.079405 O\n0.218506 0.144665 0.371713 O\n0.419916 0.135791 0.386658 O\n0.692211 0.085167 0.402013 O\n",
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"formula_full": "Na16 Cr4 H32 S4 O28",
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{
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{
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"structure_string": "Ba2 B10 O20\n1.0\n-6.887970 0.000000 0.000000\n3.392160 6.040246 0.000000\n-0.424701 -1.836801 -9.467345\nBa B O\n2 10 20\ndirect\n0.814853 0.101144 0.351914 Ba\n0.185147 0.898856 0.648086 Ba\n0.871943 0.249131 0.703987 B\n0.128057 0.750869 0.296013 B\n0.293074 0.490747 0.658069 B\n0.706926 0.509253 0.341931 B\n0.322971 0.174849 0.297306 B\n0.677029 0.825151 0.702694 B\n0.612494 0.429709 0.676975 B\n0.387506 0.570291 0.323025 B\n0.816401 0.128457 0.931093 B\n0.183599 0.871543 0.068907 B\n0.172870 0.982833 0.361321 O\n0.827130 0.017167 0.638679 O\n0.069774 0.417144 0.640244 O\n0.930226 0.582856 0.359756 O\n0.670324 0.265433 0.666018 O\n0.329676 0.734567 0.333982 O\n0.910650 0.299251 0.857052 O\n0.089350 0.700749 0.142948 O\n0.379171 0.351994 0.677094 O\n0.620829 0.648006 0.322906 O\n0.320518 0.090761 0.143212 O\n0.679482 0.909239 0.856788 O\n0.246647 0.345860 0.320154 O\n0.753353 0.654140 0.679846 O\n0.558885 0.288924 0.352140 O\n0.441115 0.711076 0.647860 O\n0.845297 0.154379 0.074478 O\n0.154703 0.845621 0.925522 O\n0.306036 0.197314 0.958763 O\n0.693964 0.802686 0.041237 O\n",
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{
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{
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"structure_string": "Li7 Mn3 Fe1 P6 O24\n1.0\n7.595042 -4.458914 0.000000\n7.595042 4.458914 0.000000\n4.977292 0.000000 7.265889\nLi Mn Fe P O\n7 3 1 6 24\ndirect\n0.648963 0.234592 0.817838 Li\n0.234592 0.817838 0.648963 Li\n0.224576 0.398196 0.722121 Li\n0.015848 0.015848 0.015848 Li\n0.817838 0.648963 0.234592 Li\n0.722121 0.224576 0.398196 Li\n0.398196 0.722121 0.224576 Li\n0.850491 0.850491 0.850491 Mn\n0.352531 0.352531 0.352531 Mn\n0.646139 0.646139 0.646139 Mn\n0.146501 0.146501 0.146501 Fe\n0.245041 0.542100 0.962040 P\n0.962040 0.245041 0.542100 P\n0.542100 0.962040 0.245041 P\n0.447658 0.050234 0.748732 P\n0.050234 0.748732 0.447658 P\n0.748732 0.447658 0.050234 P\n0.127235 0.287864 0.509013 O\n0.509013 0.127235 0.287864 O\n0.287864 0.509013 0.127235 O\n0.077598 0.722917 0.947270 O\n0.401470 0.566973 0.775509 O\n0.201306 0.378742 0.985151 O\n0.947270 0.077598 0.722917 O\n0.775509 0.401470 0.566973 O\n0.566973 0.775509 0.401470 O\n0.608657 0.032472 0.791933 O\n0.256445 0.097379 0.899903 O\n0.032472 0.791933 0.608657 O\n0.985151 0.201306 0.378742 O\n0.722917 0.947270 0.077598 O\n0.378742 0.985151 0.201306 O\n0.444107 0.229886 0.574706 O\n0.229886 0.574706 0.444107 O\n0.097379 0.899903 0.256445 O\n0.791933 0.608657 0.032472 O\n0.574706 0.444107 0.229886 O\n0.899903 0.256445 0.097379 O\n0.717839 0.473877 0.883118 O\n0.473877 0.883118 0.717839 O\n0.883118 0.717839 0.473877 O\n",
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{
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"structure_string": "Mn1 Cr3 P4 O16\n1.0\n5.837548 0.000000 0.000000\n0.000000 4.801961 0.000000\n0.000000 0.120330 9.911618\nMn Cr P O\n1 3 4 16\ndirect\n0.000000 0.052798 0.276847 Mn\n0.000000 0.470554 0.770303 Cr\n0.500000 0.528944 0.226957 Cr\n0.500000 0.972094 0.730063 Cr\n0.500000 0.082838 0.406692 P\n0.500000 0.411552 0.907103 P\n0.000000 0.585684 0.095361 P\n0.000000 0.920405 0.593671 P\n0.500000 0.166084 0.554130 O\n0.298262 0.236753 0.328396 O\n0.701738 0.236753 0.328396 O\n0.000000 0.234373 0.609432 O\n0.000000 0.264883 0.113465 O\n0.295814 0.264969 0.827326 O\n0.704186 0.264969 0.827326 O\n0.500000 0.323669 0.054404 O\n0.000000 0.657412 0.945241 O\n0.792742 0.724887 0.169575 O\n0.207258 0.724887 0.169575 O\n0.500000 0.726553 0.889834 O\n0.500000 0.769599 0.389014 O\n0.795804 0.768405 0.671186 O\n0.204196 0.768405 0.671186 O\n0.000000 0.842532 0.444516 O\n",
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{
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{
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{
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{
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"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n8.450508 0.000000 0.000000\n-2.034118 8.276893 0.000000\n-3.087401 -4.230570 8.976085\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.220712 0.477906 0.086536 Na\n0.694028 0.969810 0.075999 Na\n0.742191 0.237153 0.263178 Na\n0.000574 0.998993 0.259340 Na\n0.479506 0.494883 0.267606 Na\n0.520494 0.505117 0.732394 Na\n0.999426 0.001007 0.740660 Na\n0.257809 0.762847 0.736822 Na\n0.779288 0.522094 0.913464 Na\n0.305972 0.030190 0.924001 Na\n0.340996 0.083628 0.347926 Fe\n0.849005 0.591920 0.353633 Fe\n0.150995 0.408080 0.646367 Fe\n0.659004 0.916372 0.652074 Fe\n0.019883 0.273225 0.415663 P\n0.521865 0.763457 0.422645 P\n0.980117 0.726775 0.584337 P\n0.478135 0.236543 0.577355 P\n0.458540 0.216563 0.060311 C\n0.953529 0.706124 0.066487 C\n0.046471 0.293876 0.933513 C\n0.541460 0.783437 0.939689 C\n0.987258 0.235641 0.075647 O\n0.485118 0.713736 0.081160 O\n0.549079 0.285747 0.124773 O\n0.030824 0.788875 0.130192 O\n0.314012 0.073830 0.144718 O\n0.814156 0.559057 0.156594 O\n0.697514 0.746111 0.326527 O\n0.994937 0.441949 0.325396 O\n0.198784 0.272640 0.313397 O\n0.518288 0.937135 0.322825 O\n0.979274 0.730169 0.434063 O\n0.478879 0.234774 0.429205 O\n0.357069 0.596730 0.461343 O\n0.862106 0.108222 0.447817 O\n0.642931 0.403270 0.538657 O\n0.137894 0.891778 0.552183 O\n0.521121 0.765226 0.570795 O\n0.020726 0.269831 0.565937 O\n0.481712 0.062865 0.677175 O\n0.801216 0.727360 0.686603 O\n0.005063 0.558051 0.674604 O\n0.302486 0.253889 0.673473 O\n0.185844 0.440943 0.843406 O\n0.685988 0.926170 0.855282 O\n0.969176 0.211125 0.869808 O\n0.450921 0.714253 0.875227 O\n0.514882 0.286264 0.918840 O\n0.012742 0.764359 0.924353 O\n",
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}