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{
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"structure_string": "Zn20 Si8 N24\n1.0\n11.262633 0.000000 0.000000\n0.000000 11.262633 0.000000\n0.000000 0.000000 5.658459\nZn Si N\n20 8 24\ndirect\n0.229404 0.097763 0.915186 Zn\n0.270596 0.597763 0.915186 Zn\n0.770596 0.902237 0.915186 Zn\n0.729404 0.402237 0.915186 Zn\n0.902237 0.229404 0.084814 Zn\n0.597763 0.729404 0.084814 Zn\n0.097763 0.770596 0.084814 Zn\n0.402237 0.270596 0.084814 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.439809 0.313477 0.598389 Zn\n0.060191 0.813477 0.598389 Zn\n0.560191 0.686523 0.598389 Zn\n0.939809 0.186523 0.598389 Zn\n0.686523 0.439809 0.401611 Zn\n0.813477 0.939809 0.401611 Zn\n0.313477 0.560191 0.401611 Zn\n0.186523 0.060191 0.401611 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.619405 0.209657 0.753486 Si\n0.880595 0.709657 0.753486 Si\n0.380595 0.790343 0.753486 Si\n0.119405 0.290343 0.753486 Si\n0.790343 0.619405 0.246514 Si\n0.709657 0.119405 0.246514 Si\n0.209657 0.380595 0.246514 Si\n0.290343 0.880595 0.246514 Si\n0.474220 0.177668 0.844534 N\n0.025780 0.677668 0.844534 N\n0.525780 0.822332 0.844534 N\n0.974220 0.322332 0.844534 N\n0.822332 0.474220 0.155466 N\n0.677668 0.974220 0.155466 N\n0.177668 0.525780 0.155466 N\n0.322332 0.025780 0.155466 N\n0.621296 0.359324 0.661375 N\n0.878704 0.859324 0.661375 N\n0.378704 0.640676 0.661375 N\n0.121296 0.140676 0.661375 N\n0.640676 0.621296 0.338625 N\n0.859324 0.121296 0.338625 N\n0.359324 0.378704 0.338625 N\n0.140676 0.878704 0.338625 N\n0.212452 0.287548 0.000000 N\n0.287548 0.787548 0.000000 N\n0.787548 0.712452 0.000000 N\n0.712452 0.212452 0.000000 N\n0.621401 0.121401 0.500000 N\n0.878599 0.621401 0.500000 N\n0.378599 0.878599 0.500000 N\n0.121401 0.378599 0.500000 N\n",
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{
"id": "mp-772717",
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"structure_string": "Na4 Li8 Fe4 P4 C4 O28\n1.0\n6.591002 0.000000 0.000000\n-0.105878 8.628307 0.000000\n-0.003275 -0.428389 10.130730\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.256083 0.083619 0.620956 Na\n0.999722 0.255761 0.373188 Na\n0.999793 0.258213 0.875401 Na\n0.502850 0.743599 0.626704 Na\n0.263876 0.078679 0.124929 Li\n0.480829 0.274028 0.378249 Li\n0.481096 0.274961 0.881646 Li\n0.511376 0.733093 0.121121 Li\n0.983519 0.731758 0.119612 Li\n0.981921 0.726578 0.621090 Li\n0.743556 0.912799 0.371923 Li\n0.749276 0.910077 0.878748 Li\n0.746342 0.345238 0.109215 Fe\n0.743440 0.351042 0.607334 Fe\n0.246050 0.651897 0.388488 Fe\n0.250712 0.655773 0.895767 Fe\n0.254798 0.409803 0.147964 P\n0.246648 0.417372 0.647481 P\n0.745108 0.592054 0.349779 P\n0.750223 0.591928 0.857127 P\n0.747039 0.038757 0.137259 C\n0.756137 0.045491 0.639489 C\n0.258125 0.948582 0.352690 C\n0.258376 0.955605 0.867798 C\n0.276546 0.097052 0.337804 O\n0.277124 0.102795 0.850786 O\n0.752743 0.086090 0.016788 O\n0.751182 0.086941 0.517113 O\n0.739638 0.141012 0.235841 O\n0.732770 0.150766 0.734687 O\n0.059639 0.313520 0.111470 O\n0.432508 0.308514 0.092206 O\n0.056115 0.313950 0.613196 O\n0.430334 0.325443 0.587534 O\n0.273379 0.427337 0.301550 O\n0.731686 0.429226 0.408089 O\n0.271871 0.433450 0.800353 O\n0.729626 0.428462 0.913212 O\n0.254672 0.574167 0.091901 O\n0.754919 0.573686 0.195755 O\n0.228829 0.579310 0.589963 O\n0.768314 0.574366 0.703636 O\n0.561028 0.695819 0.389922 O\n0.932384 0.687169 0.403230 O\n0.566388 0.697978 0.895010 O\n0.936813 0.684868 0.914460 O\n0.242299 0.854648 0.249146 O\n0.244075 0.857942 0.765899 O\n0.254459 0.891462 0.469414 O\n0.253139 0.902671 0.986224 O\n0.747949 0.892184 0.161653 O\n0.782673 0.902462 0.669202 O\n",
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{
"id": "mp-561110",
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"structure_string": "Si4 Pb16 Cl16 O16\n1.0\n15.898866 0.000000 0.000000\n0.000000 8.438669 0.000000\n0.000000 0.327079 8.904909\nSi Pb Cl O\n4 16 16 16\ndirect\n0.351537 0.648353 0.366332 Si\n0.148463 0.148353 0.366332 Si\n0.648463 0.351647 0.633668 Si\n0.851537 0.851647 0.633668 Si\n0.202070 0.495853 0.569622 Pb\n0.008356 0.295555 0.155718 Pb\n0.508356 0.204445 0.844282 Pb\n0.756331 0.070498 0.892468 Pb\n0.256331 0.429502 0.107532 Pb\n0.030242 0.153916 0.654734 Pb\n0.969758 0.846084 0.345266 Pb\n0.297930 0.995853 0.569622 Pb\n0.702070 0.004147 0.430378 Pb\n0.491644 0.795555 0.155718 Pb\n0.797930 0.504147 0.430378 Pb\n0.991644 0.704445 0.844282 Pb\n0.530242 0.346084 0.345266 Pb\n0.469758 0.653916 0.654734 Pb\n0.743669 0.570498 0.892468 Pb\n0.243669 0.929502 0.107532 Pb\n0.375833 0.169081 0.161183 Cl\n0.608862 0.116654 0.128390 Cl\n0.653669 0.619532 0.272812 Cl\n0.391138 0.883346 0.871610 Cl\n0.153669 0.880468 0.727188 Cl\n0.346331 0.380468 0.727188 Cl\n0.000000 0.000000 0.000000 Cl\n0.108862 0.383346 0.871610 Cl\n0.124167 0.669081 0.161183 Cl\n0.000000 0.500000 0.500000 Cl\n0.875833 0.330919 0.838817 Cl\n0.624167 0.830919 0.838817 Cl\n0.846331 0.119532 0.272812 Cl\n0.891138 0.616654 0.128390 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.828792 0.769049 0.473987 O\n0.953329 0.895661 0.624829 O\n0.453329 0.604339 0.375171 O\n0.546671 0.395661 0.624829 O\n0.210524 0.993445 0.352964 O\n0.671208 0.269049 0.473987 O\n0.289476 0.493445 0.352964 O\n0.344105 0.763312 0.212822 O\n0.171208 0.230951 0.526013 O\n0.710524 0.506555 0.647036 O\n0.046671 0.104339 0.375171 O\n0.789476 0.006555 0.647036 O\n0.844105 0.736688 0.787178 O\n0.155895 0.263312 0.212822 O\n0.655895 0.236688 0.787178 O\n0.328792 0.730951 0.526013 O\n",
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{
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{
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"band_gap": 2.1638,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0001254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.564000Z",
"spacegroup": 14
}
]
}