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{
"id": "mp-864650",
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{
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"structure_string": "Li4 Fe4 F16\n1.0\n5.080758 0.000000 0.000000\n0.000000 7.373077 0.000000\n0.000000 1.493458 7.329342\nLi Fe F\n4 4 16\ndirect\n0.241249 0.841356 0.855010 Li\n0.258751 0.341356 0.855010 Li\n0.741249 0.658644 0.144990 Li\n0.758751 0.158644 0.144990 Li\n0.743063 0.682327 0.682960 Fe\n0.756937 0.182327 0.682960 Fe\n0.243063 0.817673 0.317040 Fe\n0.256937 0.317673 0.317040 Fe\n0.914558 0.696425 0.907840 F\n0.585442 0.196425 0.907840 F\n0.428626 0.588146 0.802260 F\n0.071374 0.088146 0.802260 F\n0.904046 0.437443 0.684629 F\n0.069272 0.801270 0.558883 F\n0.595954 0.937443 0.684629 F\n0.430728 0.301270 0.558883 F\n0.569272 0.698730 0.441117 F\n0.404046 0.062557 0.315371 F\n0.930728 0.198730 0.441117 F\n0.095954 0.562557 0.315371 F\n0.928626 0.911854 0.197740 F\n0.571374 0.411854 0.197740 F\n0.414558 0.803575 0.092160 F\n0.085442 0.303575 0.092160 F\n",
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{
"id": "mp-23621",
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"structure_string": "Na4 Bi4 P16 O48\n1.0\n13.305968 0.000000 0.000000\n0.000000 7.299158 0.000000\n0.000000 7.242056 9.984092\nNa Bi P O\n4 4 16 48\ndirect\n0.778572 0.934624 0.563698 Na\n0.278572 0.065376 0.936302 Na\n0.221428 0.065376 0.436302 Na\n0.721428 0.934624 0.063698 Na\n0.780875 0.534405 0.477703 Bi\n0.280875 0.465595 0.022297 Bi\n0.219125 0.465595 0.522297 Bi\n0.719125 0.534405 0.977703 Bi\n0.614103 0.113301 0.764368 P\n0.871999 0.342124 0.803659 P\n0.628001 0.342124 0.303659 P\n0.128001 0.657876 0.196341 P\n0.601262 0.008207 0.241394 P\n0.101262 0.991793 0.258606 P\n0.398738 0.991793 0.758606 P\n0.898738 0.008207 0.741394 P\n0.371999 0.657876 0.696341 P\n0.114103 0.886699 0.735632 P\n0.910065 0.569843 0.200165 P\n0.885897 0.113301 0.264368 P\n0.589935 0.569843 0.700165 P\n0.089935 0.430157 0.799835 P\n0.410065 0.430157 0.299835 P\n0.385897 0.886699 0.235632 P\n0.477992 0.647608 0.636791 O\n0.977992 0.352392 0.863209 O\n0.522008 0.352392 0.363209 O\n0.022008 0.647608 0.136791 O\n0.660314 0.660601 0.583868 O\n0.160314 0.339399 0.916132 O\n0.339686 0.339399 0.416132 O\n0.839686 0.660601 0.083868 O\n0.290705 0.682348 0.603872 O\n0.790705 0.317652 0.896128 O\n0.709295 0.317652 0.396128 O\n0.209295 0.682348 0.103872 O\n0.664986 0.801268 0.292135 O\n0.164986 0.198732 0.207865 O\n0.335014 0.198732 0.707865 O\n0.835014 0.801268 0.792135 O\n0.365781 0.472862 0.844024 O\n0.645283 0.906821 0.899056 O\n0.865781 0.527138 0.655976 O\n0.134219 0.472862 0.344024 O\n0.608593 0.635162 0.793607 O\n0.108593 0.364838 0.706393 O\n0.391407 0.364838 0.206393 O\n0.891407 0.635162 0.293607 O\n0.812403 0.211120 0.151187 O\n0.312403 0.788880 0.348813 O\n0.187597 0.788880 0.848813 O\n0.687597 0.211120 0.651187 O\n0.124253 0.902632 0.169370 O\n0.624253 0.097368 0.330630 O\n0.875747 0.097368 0.830630 O\n0.375747 0.902632 0.669370 O\n0.987369 0.072589 0.211898 O\n0.487369 0.927411 0.288102 O\n0.012631 0.927411 0.788102 O\n0.512631 0.072589 0.711898 O\n0.891961 0.192858 0.592863 O\n0.391961 0.807142 0.907137 O\n0.108039 0.807142 0.407137 O\n0.608039 0.192858 0.092863 O\n0.919114 0.297660 0.289843 O\n0.419114 0.702340 0.210157 O\n0.080886 0.702340 0.710157 O\n0.580886 0.297660 0.789843 O\n0.854717 0.906821 0.399056 O\n0.354717 0.093179 0.100944 O\n0.145283 0.093179 0.600944 O\n0.634219 0.527138 0.155976 O\n",
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"formula_full": "Na4 Bi4 P16 O48",
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"spacegroup": 14
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{
"id": "mp-29373",
"created_at": "2022-09-04T14:44:09.017540Z",
"structure_string": "K4 Al4 Sb16\n1.0\n4.279202 0.000000 0.000000\n0.000000 10.550591 0.000000\n0.000000 0.000000 18.289907\nK Al Sb\n4 4 16\ndirect\n0.250000 0.323646 0.934435 K\n0.750000 0.676354 0.065565 K\n0.250000 0.823646 0.565565 K\n0.750000 0.176354 0.434435 K\n0.250000 0.180786 0.131627 Al\n0.750000 0.819214 0.868373 Al\n0.250000 0.680786 0.368373 Al\n0.750000 0.319214 0.631627 Al\n0.750000 0.828794 0.399110 Sb\n0.250000 0.171206 0.600890 Sb\n0.750000 0.328794 0.100890 Sb\n0.250000 0.671206 0.899110 Sb\n0.750000 0.387100 0.774618 Sb\n0.250000 0.612900 0.225382 Sb\n0.750000 0.887100 0.725382 Sb\n0.250000 0.112900 0.274618 Sb\n0.750000 0.535820 0.549682 Sb\n0.250000 0.464180 0.450318 Sb\n0.750000 0.035820 0.950318 Sb\n0.250000 0.964180 0.049682 Sb\n0.750000 0.929840 0.252872 Sb\n0.250000 0.070160 0.747128 Sb\n0.750000 0.429840 0.247128 Sb\n0.250000 0.570160 0.752872 Sb\n",
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"volume": 825.7547351080667,
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"formula_full": "K4 Al4 Sb16",
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{
"id": "mp-943469",
"created_at": "2022-09-04T14:44:09.021101Z",
"structure_string": "Li4 Mn4 H4 S4 O20\n1.0\n5.591860 0.000000 0.000000\n0.000000 7.677604 0.000000\n0.000000 3.571458 9.316813\nLi Mn H S O\n4 4 4 4 20\ndirect\n0.438944 0.688169 0.085720 Li\n0.938944 0.811831 0.914280 Li\n0.561056 0.311831 0.914280 Li\n0.061056 0.188169 0.085720 Li\n0.765983 0.875640 0.555949 Mn\n0.265983 0.624360 0.444051 Mn\n0.234017 0.124360 0.444051 Mn\n0.734017 0.375640 0.555949 Mn\n0.499280 0.402892 0.330711 H\n0.999280 0.097108 0.669289 H\n0.500720 0.597108 0.669289 H\n0.000720 0.902892 0.330711 H\n0.061214 0.507449 0.791355 S\n0.561214 0.992551 0.208645 S\n0.938786 0.492551 0.208645 S\n0.438786 0.007449 0.791355 S\n0.929347 0.127871 0.572952 O\n0.429347 0.372129 0.427048 O\n0.070653 0.872129 0.427048 O\n0.570653 0.627871 0.572952 O\n0.445635 0.966221 0.654577 O\n0.945635 0.533779 0.345423 O\n0.554365 0.033779 0.345423 O\n0.054365 0.466221 0.654577 O\n0.548095 0.195126 0.763049 O\n0.048095 0.304874 0.236951 O\n0.451905 0.804874 0.236951 O\n0.951905 0.695126 0.763049 O\n0.686823 0.492941 0.162029 O\n0.186823 0.007059 0.837971 O\n0.313177 0.507059 0.837971 O\n0.813177 0.992941 0.162029 O\n0.419846 0.136350 0.095774 O\n0.919846 0.363650 0.904226 O\n0.580154 0.863650 0.904226 O\n0.080154 0.636350 0.095774 O\n",
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{
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"structure_string": "Ti16 Te12 N8\n1.0\n6.748831 0.000000 0.000000\n0.000000 10.741334 0.000000\n0.000000 0.000000 9.796975\nTi Te N\n16 12 8\ndirect\n0.591169 0.250000 0.902021 Ti\n0.091169 0.250000 0.597979 Ti\n0.408831 0.750000 0.097979 Ti\n0.908831 0.750000 0.402021 Ti\n0.792615 0.250000 0.405626 Ti\n0.292615 0.250000 0.094374 Ti\n0.207385 0.750000 0.594374 Ti\n0.707385 0.750000 0.905626 Ti\n0.690784 0.488552 0.055584 Ti\n0.190784 0.011448 0.444416 Ti\n0.309216 0.988552 0.944416 Ti\n0.809216 0.511448 0.555584 Ti\n0.309216 0.511448 0.944416 Ti\n0.809216 0.988552 0.555584 Ti\n0.690784 0.011448 0.055584 Ti\n0.190784 0.488552 0.444416 Ti\n0.880828 0.250000 0.129789 Te\n0.380828 0.250000 0.370211 Te\n0.119172 0.750000 0.870211 Te\n0.619172 0.750000 0.629789 Te\n0.578768 0.573200 0.319074 Te\n0.078768 0.926800 0.180926 Te\n0.421232 0.073200 0.680926 Te\n0.921232 0.426800 0.819074 Te\n0.421232 0.426800 0.680926 Te\n0.921232 0.073200 0.819074 Te\n0.578768 0.926800 0.319074 Te\n0.078768 0.573200 0.180926 Te\n0.538017 0.620813 0.963963 N\n0.038017 0.879187 0.536037 N\n0.461983 0.120813 0.036037 N\n0.961983 0.379187 0.463963 N\n0.461983 0.379187 0.036037 N\n0.961983 0.120813 0.463963 N\n0.538017 0.879187 0.963963 N\n0.038017 0.620813 0.536037 N\n",
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{
"id": "mp-28303",
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"structure_string": "Na24 Si8 Se32\n1.0\n17.294454 0.000000 0.000000\n0.000000 7.384543 0.000000\n0.000000 2.194123 13.738857\nNa Si Se\n24 8 32\ndirect\n0.948257 0.051061 0.283189 Na\n0.448257 0.948939 0.216811 Na\n0.051743 0.948939 0.716811 Na\n0.551743 0.051061 0.783189 Na\n0.673356 0.576844 0.766128 Na\n0.173356 0.423156 0.733872 Na\n0.326644 0.423156 0.233872 Na\n0.826644 0.576844 0.266128 Na\n0.699885 0.982586 0.285601 Na\n0.199885 0.017414 0.214399 Na\n0.300115 0.017414 0.714399 Na\n0.800115 0.982586 0.785601 Na\n0.608971 0.418844 0.021350 Na\n0.108971 0.581156 0.478650 Na\n0.391029 0.581156 0.978650 Na\n0.891029 0.418844 0.521350 Na\n0.671275 0.295774 0.507528 Na\n0.933168 0.751425 0.003149 Na\n0.566832 0.751425 0.503149 Na\n0.066832 0.248575 0.996851 Na\n0.828725 0.295774 0.007528 Na\n0.328725 0.704226 0.492472 Na\n0.171275 0.704226 0.992472 Na\n0.433168 0.248575 0.496851 Na\n0.025696 0.600985 0.231071 Si\n0.525696 0.399015 0.268929 Si\n0.974304 0.399015 0.768929 Si\n0.474304 0.600985 0.731071 Si\n0.776459 0.885147 0.526904 Si\n0.276459 0.114853 0.973096 Si\n0.223541 0.114853 0.473096 Si\n0.723541 0.885147 0.026904 Si\n0.966365 0.672232 0.364593 Se\n0.107411 0.197729 0.387822 Se\n0.392589 0.197729 0.887822 Se\n0.892589 0.802271 0.612178 Se\n0.066632 0.851896 0.128063 Se\n0.566632 0.148104 0.371937 Se\n0.933368 0.148104 0.871937 Se\n0.433368 0.851896 0.628063 Se\n0.733261 0.665089 0.443290 Se\n0.233261 0.334911 0.056710 Se\n0.266739 0.334911 0.556710 Se\n0.766739 0.665089 0.943290 Se\n0.147940 0.474841 0.281272 Se\n0.647940 0.525159 0.218728 Se\n0.852060 0.525159 0.718728 Se\n0.352060 0.474841 0.781272 Se\n0.607411 0.802271 0.112178 Se\n0.466365 0.327768 0.135407 Se\n0.033635 0.327768 0.635407 Se\n0.533635 0.672232 0.864593 Se\n0.814691 0.942641 0.136129 Se\n0.314691 0.057359 0.363871 Se\n0.185309 0.057359 0.863871 Se\n0.685309 0.942641 0.636129 Se\n0.818604 0.136821 0.424562 Se\n0.318604 0.863179 0.075438 Se\n0.181396 0.863179 0.575438 Se\n0.681396 0.136821 0.924562 Se\n0.456756 0.596297 0.346193 Se\n0.956756 0.403703 0.153807 Se\n0.543244 0.403703 0.653807 Se\n0.043244 0.596297 0.846193 Se\n",
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{
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