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{
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{
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{
"id": "mp-556641",
"created_at": "2022-09-04T14:45:13.703774Z",
"structure_string": "Na16 Li8 Al8 P16 H16 O72\n1.0\n7.031867 0.000000 0.000000\n0.000000 14.208609 0.000000\n0.000000 0.000000 14.247314\nNa Li Al P H O\n16 8 8 16 16 72\ndirect\n0.958733 0.000000 0.250000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.250000 0.753593 Na\n0.500000 0.000000 0.500000 Na\n0.041267 0.500000 0.250000 Na\n0.000000 0.750000 0.246407 Na\n0.041267 0.000000 0.750000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.250000 0.479287 Na\n0.500000 0.750000 0.020713 Na\n0.500000 0.750000 0.520713 Na\n0.000000 0.750000 0.746407 Na\n0.000000 0.250000 0.253593 Na\n0.500000 0.500000 0.500000 Na\n0.958733 0.500000 0.750000 Na\n0.500000 0.250000 0.979287 Na\n0.260037 0.125788 0.125824 Li\n0.260037 0.874212 0.374176 Li\n0.260037 0.374212 0.625824 Li\n0.739963 0.874212 0.874176 Li\n0.739963 0.125788 0.625824 Li\n0.260037 0.625788 0.874176 Li\n0.739963 0.625788 0.374176 Li\n0.739963 0.374212 0.125824 Li\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.250000 0.498902 Al\n0.000000 0.750000 0.501098 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.250000 0.998902 Al\n0.000000 0.750000 0.001098 Al\n0.000000 0.000000 0.500000 Al\n0.278110 0.870316 0.868092 P\n0.261111 0.379056 0.856488 P\n0.721890 0.370316 0.631908 P\n0.721890 0.870316 0.368092 P\n0.261111 0.879056 0.143512 P\n0.738889 0.879056 0.643512 P\n0.261111 0.120944 0.356488 P\n0.721890 0.629684 0.868092 P\n0.278110 0.370316 0.131908 P\n0.721890 0.129684 0.131908 P\n0.738889 0.120944 0.856488 P\n0.278110 0.629684 0.368092 P\n0.278110 0.129684 0.631908 P\n0.738889 0.379056 0.356488 P\n0.261111 0.620944 0.643512 P\n0.738889 0.620944 0.143512 P\n0.589444 0.126432 0.296784 H\n0.410556 0.126432 0.796784 H\n0.199331 0.125393 0.940279 H\n0.800669 0.125393 0.440279 H\n0.800669 0.625393 0.559721 H\n0.800669 0.874607 0.059721 H\n0.410556 0.373568 0.296784 H\n0.410556 0.626432 0.203216 H\n0.199331 0.374607 0.440279 H\n0.589444 0.626432 0.703216 H\n0.410556 0.873568 0.703216 H\n0.589444 0.373568 0.796784 H\n0.199331 0.874607 0.559721 H\n0.589444 0.873568 0.203216 H\n0.800669 0.374607 0.940279 H\n0.199331 0.625393 0.059721 H\n0.194704 0.469071 0.910354 O\n0.837858 0.458492 0.599408 O\n0.479179 0.628589 0.408312 O\n0.886584 0.124734 0.494196 O\n0.171589 0.279707 0.098675 O\n0.828411 0.220293 0.098675 O\n0.515914 0.876709 0.637001 O\n0.185054 0.211134 0.407194 O\n0.805296 0.030929 0.910354 O\n0.484086 0.623291 0.637001 O\n0.275128 0.629528 0.258675 O\n0.162142 0.458492 0.099408 O\n0.484086 0.876709 0.137001 O\n0.515914 0.623291 0.137001 O\n0.814946 0.711134 0.092806 O\n0.162142 0.958492 0.900592 O\n0.808845 0.118964 0.755338 O\n0.185054 0.711134 0.592806 O\n0.886584 0.875266 0.005804 O\n0.484086 0.376709 0.862999 O\n0.479179 0.871411 0.908312 O\n0.191155 0.381036 0.755338 O\n0.171589 0.720293 0.401325 O\n0.520821 0.871411 0.408312 O\n0.886584 0.624734 0.505804 O\n0.808845 0.381036 0.255338 O\n0.520821 0.128589 0.091688 O\n0.113416 0.375266 0.494196 O\n0.275128 0.870472 0.758675 O\n0.194704 0.530929 0.589646 O\n0.805296 0.969071 0.589646 O\n0.828411 0.279707 0.598675 O\n0.113416 0.124734 0.994196 O\n0.520821 0.628589 0.908312 O\n0.828411 0.720293 0.901325 O\n0.837858 0.958492 0.400592 O\n0.724872 0.629528 0.758675 O\n0.724872 0.129528 0.241325 O\n0.479179 0.128589 0.591688 O\n0.479179 0.371411 0.091688 O\n0.837858 0.041508 0.099408 O\n0.515914 0.123291 0.862999 O\n0.194704 0.030929 0.410354 O\n0.275128 0.129528 0.741325 O\n0.275128 0.370472 0.241325 O\n0.484086 0.123291 0.362999 O\n0.113416 0.624734 0.005804 O\n0.162142 0.041508 0.599408 O\n0.837858 0.541508 0.900592 O\n0.808845 0.881036 0.744662 O\n0.886584 0.375266 0.994196 O\n0.515914 0.376709 0.362999 O\n0.194704 0.969071 0.089646 O\n0.185054 0.788866 0.092806 O\n0.724872 0.870472 0.258675 O\n0.828411 0.779707 0.401325 O\n0.185054 0.288866 0.907194 O\n0.724872 0.370472 0.741325 O\n0.113416 0.875266 0.505804 O\n0.814946 0.788866 0.592806 O\n0.805296 0.469071 0.410354 O\n0.171589 0.779707 0.901325 O\n0.814946 0.211134 0.907194 O\n0.191155 0.618964 0.744662 O\n0.191155 0.881036 0.244662 O\n0.805296 0.530929 0.089646 O\n0.814946 0.288866 0.407194 O\n0.171589 0.220293 0.598675 O\n0.162142 0.541508 0.400592 O\n0.191155 0.118964 0.255338 O\n0.520821 0.371411 0.591688 O\n0.808845 0.618964 0.244662 O\n",
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{
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{
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"structure_string": "Cs2 Fe2 O4\n1.0\n-4.329147 0.000001 -4.329147\n4.329146 -4.329146 0.000001\n-4.329147 -4.329147 0.000001\nCs Fe O\n2 2 4\ndirect\n0.750000 0.375000 0.375000 Cs\n0.250000 0.625000 0.625000 Cs\n0.749999 0.875001 0.875001 Fe\n0.250001 0.125000 0.124998 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-570796",
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"structure_string": "Sb8 Cl40\n1.0\n12.934872 0.000000 0.000000\n0.000000 10.138381 0.000000\n0.000000 4.414962 12.698695\nSb Cl\n8 40\ndirect\n0.872812 0.806064 0.704544 Sb\n0.130816 0.616086 0.189028 Sb\n0.372812 0.193936 0.795456 Sb\n0.630816 0.383914 0.310972 Sb\n0.869184 0.383914 0.810972 Sb\n0.627188 0.806064 0.204544 Sb\n0.369184 0.616086 0.689028 Sb\n0.127188 0.193936 0.295456 Sb\n0.009076 0.042960 0.256241 Cl\n0.526054 0.401472 0.163634 Cl\n0.473946 0.598528 0.836366 Cl\n0.475193 0.219196 0.932712 Cl\n0.517353 0.227096 0.427575 Cl\n0.247069 0.769061 0.228157 Cl\n0.734418 0.406163 0.448815 Cl\n0.239803 0.036049 0.411702 Cl\n0.522751 0.592576 0.329869 Cl\n0.022751 0.407424 0.170131 Cl\n0.026054 0.598528 0.336366 Cl\n0.524807 0.780804 0.067288 Cl\n0.752931 0.230939 0.771843 Cl\n0.252931 0.769061 0.728157 Cl\n0.975193 0.780804 0.567288 Cl\n0.260197 0.036049 0.911702 Cl\n0.747069 0.230939 0.271843 Cl\n0.768746 0.788456 0.852144 Cl\n0.236105 0.404399 0.313232 Cl\n0.990924 0.957040 0.743759 Cl\n0.024807 0.219196 0.432712 Cl\n0.268746 0.211544 0.647856 Cl\n0.739803 0.963951 0.088298 Cl\n0.509076 0.957040 0.243759 Cl\n0.736105 0.595601 0.186768 Cl\n0.982647 0.227096 0.927575 Cl\n0.973946 0.401472 0.663634 Cl\n0.234418 0.593837 0.051185 Cl\n0.760197 0.963951 0.588298 Cl\n0.263895 0.404399 0.813232 Cl\n0.477249 0.407424 0.670131 Cl\n0.482647 0.772904 0.572425 Cl\n0.763895 0.595601 0.686768 Cl\n0.977249 0.592576 0.829869 Cl\n0.765582 0.406163 0.948815 Cl\n0.490924 0.042960 0.756241 Cl\n0.231254 0.211544 0.147856 Cl\n0.731254 0.788456 0.352144 Cl\n0.017353 0.772904 0.072425 Cl\n0.265582 0.593837 0.551185 Cl\n",
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{
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"structure_string": "Li5 Br2 N1\n1.0\n-1.958239 3.044730 5.921875\n1.958239 -3.044730 5.921875\n1.958239 3.044730 -5.921875\nLi Br N\n5 2 1\ndirect\n0.903113 0.120194 0.782919 Li\n0.096887 0.879806 0.217081 Li\n0.662725 0.879806 0.782919 Li\n0.000000 0.500000 0.500000 Li\n0.337275 0.120194 0.217081 Li\n0.326342 0.326342 0.000000 Br\n0.673658 0.673658 0.000000 Br\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Li5 Br2 N1",
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{
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"created_at": "2022-09-04T14:41:48.167427Z",
"structure_string": "Na4 Se2 O10\n1.0\n3.167460 -5.406458 0.000000\n3.167460 5.406458 0.000000\n0.000000 0.000000 7.883614\nNa Se O\n4 2 10\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.347956 0.652044 0.750000 Na\n0.652044 0.347956 0.250000 Na\n0.777449 0.222551 0.750000 Se\n0.222551 0.777449 0.250000 Se\n0.067825 0.932175 0.250000 O\n0.932175 0.067825 0.750000 O\n0.575242 0.968238 0.945239 O\n0.968238 0.575242 0.054761 O\n0.575242 0.968238 0.554761 O\n0.968238 0.575242 0.445239 O\n0.424758 0.031762 0.054761 O\n0.031762 0.424758 0.945239 O\n0.424758 0.031762 0.445239 O\n0.031762 0.424758 0.554761 O\n",
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"updated_at": "2021-11-28T01:35:37.401000Z",
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]
}