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{
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{
"id": "mp-776734",
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"structure_string": "Li8 Fe8 F40\n1.0\n5.373730 0.000000 0.000000\n0.000000 10.872023 0.000000\n0.000000 0.000000 13.516414\nLi Fe F\n8 8 40\ndirect\n0.750000 0.400000 0.058603 Li\n0.250000 0.866881 0.189504 Li\n0.750000 0.366881 0.310496 Li\n0.250000 0.900000 0.441397 Li\n0.750000 0.100000 0.558603 Li\n0.250000 0.633119 0.689504 Li\n0.750000 0.133119 0.810496 Li\n0.250000 0.600000 0.941397 Li\n0.250000 0.171663 0.050910 Fe\n0.750000 0.060888 0.294273 Fe\n0.250000 0.560888 0.205727 Fe\n0.750000 0.671663 0.449090 Fe\n0.250000 0.328337 0.550910 Fe\n0.750000 0.439112 0.794273 Fe\n0.250000 0.939112 0.705727 Fe\n0.750000 0.828337 0.949090 Fe\n0.015777 0.291219 0.055645 F\n0.484223 0.291219 0.055645 F\n0.750000 0.848510 0.083408 F\n0.019938 0.064558 0.091036 F\n0.480062 0.064558 0.091036 F\n0.250000 0.536199 0.069047 F\n0.025212 0.682946 0.212320 F\n0.474788 0.682946 0.212320 F\n0.006668 0.447242 0.226990 F\n0.493332 0.447242 0.226990 F\n0.506668 0.947242 0.273010 F\n0.993332 0.947242 0.273010 F\n0.525212 0.182946 0.287680 F\n0.974788 0.182946 0.287680 F\n0.750000 0.036199 0.430953 F\n0.519938 0.564558 0.408964 F\n0.980062 0.564558 0.408964 F\n0.250000 0.348510 0.416592 F\n0.515777 0.791219 0.444355 F\n0.984223 0.791219 0.444355 F\n0.015777 0.208781 0.555645 F\n0.484223 0.208781 0.555645 F\n0.750000 0.651490 0.583408 F\n0.019938 0.435442 0.591036 F\n0.480062 0.435442 0.591036 F\n0.250000 0.963801 0.569047 F\n0.025212 0.817054 0.712320 F\n0.474788 0.817054 0.712320 F\n0.006668 0.052758 0.726990 F\n0.493332 0.052758 0.726990 F\n0.506668 0.552758 0.773010 F\n0.993332 0.552758 0.773010 F\n0.525212 0.317054 0.787680 F\n0.974788 0.317054 0.787680 F\n0.750000 0.463801 0.930953 F\n0.519938 0.935442 0.908964 F\n0.980062 0.935442 0.908964 F\n0.250000 0.151490 0.916592 F\n0.515777 0.708781 0.944355 F\n0.984223 0.708781 0.944355 F\n",
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{
"id": "mp-735042",
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"structure_string": "Fe4 P12 H8 O40\n1.0\n8.932175 0.000000 0.000000\n0.000000 7.479958 0.000000\n0.000000 4.796523 11.640423\nFe P H O\n4 12 8 40\ndirect\n0.573132 0.745491 0.795382 Fe\n0.073132 0.254509 0.704618 Fe\n0.426868 0.254509 0.204618 Fe\n0.926868 0.745491 0.295382 Fe\n0.603156 0.853695 0.364550 P\n0.103156 0.146305 0.135450 P\n0.396844 0.146305 0.635450 P\n0.896844 0.853695 0.864550 P\n0.603368 0.645546 0.206526 P\n0.103368 0.354454 0.293474 P\n0.396632 0.354454 0.793474 P\n0.896632 0.645546 0.706526 P\n0.621654 0.288490 0.978285 P\n0.121654 0.711510 0.521715 P\n0.378346 0.711510 0.021715 P\n0.878346 0.288490 0.478285 P\n0.643481 0.716953 0.552857 H\n0.143481 0.283047 0.947143 H\n0.356519 0.283047 0.447143 H\n0.856519 0.716953 0.052857 H\n0.819220 0.217363 0.897698 H\n0.319220 0.782637 0.602302 H\n0.180780 0.782637 0.102302 H\n0.680780 0.217363 0.397698 H\n0.532894 0.733228 0.292990 O\n0.032894 0.266772 0.207010 O\n0.467106 0.266772 0.707010 O\n0.967106 0.733228 0.792990 O\n0.576885 0.710171 0.490889 O\n0.076885 0.289829 0.009111 O\n0.423115 0.289829 0.509111 O\n0.923115 0.710171 0.990889 O\n0.984523 0.761917 0.590798 O\n0.484523 0.238083 0.909202 O\n0.015477 0.238083 0.409202 O\n0.515477 0.761917 0.090798 O\n0.491424 0.965849 0.663116 O\n0.991424 0.034151 0.836884 O\n0.508576 0.034151 0.336884 O\n0.008576 0.965849 0.163116 O\n0.732132 0.892809 0.834746 O\n0.232132 0.107191 0.665254 O\n0.267868 0.107191 0.165254 O\n0.767868 0.892809 0.334746 O\n0.849715 0.503643 0.423968 O\n0.349715 0.496357 0.076032 O\n0.150285 0.496357 0.576032 O\n0.650285 0.503643 0.923968 O\n0.732647 0.699283 0.683547 O\n0.232647 0.300717 0.816453 O\n0.267353 0.300717 0.316453 O\n0.767353 0.699283 0.183547 O\n0.932550 0.431589 0.750222 O\n0.432550 0.568411 0.749778 O\n0.067450 0.568411 0.249778 O\n0.567450 0.431589 0.250222 O\n0.922085 0.204785 0.603295 O\n0.422085 0.795215 0.896705 O\n0.077915 0.795215 0.396705 O\n0.577915 0.204785 0.103295 O\n0.757641 0.163594 0.967205 O\n0.257641 0.836406 0.532795 O\n0.242359 0.836406 0.032795 O\n0.742359 0.163594 0.467205 O\n",
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"formula_full": "Fe4 P12 H8 O40",
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{
"id": "mp-704459",
"created_at": "2022-09-04T14:46:56.216745Z",
"structure_string": "Na8 Cr8 O28\n1.0\n7.772060 0.000000 0.000000\n3.190685 8.939712 0.000000\n3.460565 1.419662 9.435838\nNa Cr O\n8 8 28\ndirect\n0.533936 0.606435 0.226204 Na\n0.026086 0.263819 0.351955 Na\n0.024679 0.101994 0.740796 Na\n0.975321 0.898006 0.259204 Na\n0.532076 0.214831 0.173827 Na\n0.466064 0.393565 0.773796 Na\n0.973914 0.736181 0.648045 Na\n0.467924 0.785169 0.826173 Na\n0.324551 0.909103 0.441938 Cr\n0.298069 0.371432 0.528632 Cr\n0.701931 0.628568 0.471368 Cr\n0.167888 0.591145 0.080832 Cr\n0.675449 0.090897 0.558062 Cr\n0.832112 0.408855 0.919168 Cr\n0.794201 0.847847 0.011456 Cr\n0.205799 0.152153 0.988544 Cr\n0.287423 0.592256 0.912493 O\n0.456328 0.230113 0.620856 O\n0.149854 0.862226 0.423867 O\n0.916374 0.876534 0.845075 O\n0.079916 0.324206 0.900717 O\n0.802426 0.582199 0.836805 O\n0.335075 0.074361 0.347511 O\n0.850146 0.137774 0.576133 O\n0.920084 0.675794 0.099283 O\n0.757221 0.475021 0.402234 O\n0.771117 0.986152 0.092274 O\n0.228883 0.013848 0.907726 O\n0.890379 0.683919 0.446321 O\n0.197574 0.417801 0.163195 O\n0.245232 0.690008 0.148867 O\n0.712577 0.407744 0.087507 O\n0.588679 0.825164 0.026385 O\n0.590825 0.602644 0.640017 O\n0.754768 0.309992 0.851133 O\n0.664925 0.925639 0.652489 O\n0.715855 0.083900 0.390788 O\n0.543672 0.769887 0.379144 O\n0.409175 0.397356 0.359983 O\n0.411321 0.174836 0.973615 O\n0.109621 0.316081 0.553679 O\n0.284145 0.916100 0.609212 O\n0.083626 0.123466 0.154925 O\n0.242779 0.524979 0.597766 O\n",
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{
"id": "mp-542972",
"created_at": "2022-09-04T14:39:33.115134Z",
"structure_string": "K4 Nb8 P4 S40\n1.0\n7.883113 0.000000 0.000000\n0.000000 13.125328 0.000000\n0.000000 0.000000 13.945040\nK Nb P S\n4 8 4 40\ndirect\n0.502279 0.881522 0.348398 K\n0.497721 0.118478 0.848398 K\n0.497721 0.381522 0.348398 K\n0.502279 0.618478 0.848398 K\n0.069339 0.813537 0.612661 Nb\n0.930661 0.186463 0.112661 Nb\n0.930661 0.313537 0.612661 Nb\n0.069339 0.686463 0.112661 Nb\n0.948692 0.023997 0.613500 Nb\n0.051308 0.976003 0.113500 Nb\n0.051308 0.523997 0.613500 Nb\n0.948692 0.476003 0.113500 Nb\n0.389472 0.660331 0.540464 P\n0.610528 0.339669 0.040464 P\n0.610528 0.160331 0.540464 P\n0.389472 0.839669 0.040464 P\n0.140037 0.666488 0.487302 S\n0.859963 0.333512 0.987302 S\n0.859963 0.166488 0.487302 S\n0.140037 0.833512 0.987302 S\n0.396634 0.792740 0.619839 S\n0.603366 0.207260 0.119839 S\n0.603366 0.292740 0.619839 S\n0.396634 0.707260 0.119839 S\n0.898939 0.898392 0.744831 S\n0.101061 0.101608 0.244831 S\n0.101061 0.398392 0.744831 S\n0.898939 0.601608 0.244831 S\n0.886618 0.890743 0.485602 S\n0.113382 0.109257 0.985602 S\n0.113382 0.390743 0.485602 S\n0.886618 0.609257 0.985602 S\n0.050247 0.668916 0.737765 S\n0.949753 0.331084 0.237765 S\n0.949753 0.168916 0.737765 S\n0.050247 0.831084 0.237765 S\n0.128001 0.948079 0.482608 S\n0.871999 0.051921 0.982608 S\n0.871999 0.448079 0.482608 S\n0.128001 0.551921 0.982608 S\n0.569520 0.650827 0.441246 S\n0.430480 0.349173 0.941246 S\n0.430480 0.150827 0.441246 S\n0.569520 0.849173 0.941246 S\n0.846556 0.673768 0.646107 S\n0.153444 0.326232 0.146107 S\n0.153444 0.173768 0.646107 S\n0.846556 0.826232 0.146107 S\n0.379661 0.532560 0.627602 S\n0.620339 0.467440 0.127602 S\n0.620339 0.032560 0.627602 S\n0.379661 0.967440 0.127602 S\n0.144104 0.944109 0.736224 S\n0.855896 0.055891 0.236224 S\n0.855896 0.444109 0.736224 S\n0.144104 0.555891 0.236224 S\n",
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{
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"structure_string": "Rb2 Na1 Al1 Cl6\n1.0\n0.000000 5.138222 5.138222\n5.138222 0.000000 5.138222\n5.138222 5.138222 0.000000\nRb Na Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.771186 0.228814 0.228814 Cl\n0.228814 0.228814 0.771186 Cl\n0.228814 0.771186 0.771186 Cl\n0.228814 0.771186 0.228814 Cl\n0.771186 0.228814 0.771186 Cl\n0.771186 0.771186 0.228814 Cl\n",
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{
"id": "mp-771387",
"created_at": "2022-09-04T14:44:55.164137Z",
"structure_string": "Li12 Mn4 C8 S2 O32\n1.0\n0.000000 6.732026 6.732026\n6.732026 0.000000 6.732026\n6.732026 6.732026 0.000000\nLi Mn C S O\n12 4 8 2 32\ndirect\n0.716811 0.716811 0.283189 Li\n0.966811 0.966811 0.533189 Li\n0.283189 0.716811 0.716811 Li\n0.716811 0.283189 0.283189 Li\n0.966811 0.533189 0.966811 Li\n0.533189 0.966811 0.533189 Li\n0.283189 0.716811 0.283189 Li\n0.716811 0.283189 0.716811 Li\n0.533189 0.966811 0.966811 Li\n0.533189 0.533189 0.966811 Li\n0.966811 0.533189 0.533189 Li\n0.283189 0.283189 0.716811 Li\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.351306 0.946082 0.351306 C\n0.898694 0.898694 0.898694 C\n0.303918 0.898694 0.898694 C\n0.351306 0.351306 0.946082 C\n0.898694 0.898694 0.303918 C\n0.946082 0.351306 0.351306 C\n0.351306 0.351306 0.351306 C\n0.898694 0.303918 0.898694 C\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.685827 0.685827 0.685827 O\n0.942518 0.685827 0.685827 O\n0.685827 0.685827 0.942518 O\n0.685827 0.942518 0.685827 O\n0.905197 0.031913 0.304030 O\n0.758860 0.304030 0.031913 O\n0.905197 0.758860 0.031913 O\n0.218087 0.945970 0.344803 O\n0.031913 0.905197 0.758860 O\n0.304030 0.758860 0.905197 O\n0.758860 0.031913 0.905197 O\n0.344803 0.945970 0.491140 O\n0.945970 0.344803 0.218087 O\n0.031913 0.758860 0.304030 O\n0.945970 0.218087 0.491140 O\n0.758860 0.905197 0.304030 O\n0.304030 0.031913 0.758860 O\n0.491140 0.344803 0.945970 O\n0.218087 0.491140 0.945970 O\n0.304030 0.905197 0.031913 O\n0.905197 0.304030 0.758860 O\n0.491140 0.218087 0.344803 O\n0.945970 0.491140 0.344803 O\n0.218087 0.344803 0.491140 O\n0.344803 0.491140 0.218087 O\n0.031913 0.304030 0.905197 O\n0.491140 0.945970 0.218087 O\n0.344803 0.218087 0.945970 O\n0.564173 0.307482 0.564173 O\n0.564173 0.564173 0.307482 O\n0.307482 0.564173 0.564173 O\n0.564173 0.564173 0.564173 O\n",
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"formula_full": "Li12 Mn4 C8 S2 O32",
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{
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}