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{
"id": "mp-1224631",
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"formula_full": "La40 Se48 N8",
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{
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"structure_string": "Tm2 H6 O6\n1.0\n3.432159 0.000000 0.000000\n0.000000 6.268798 0.000000\n0.000000 2.930111 5.615578\nTm H O\n2 6 6\ndirect\n0.750000 0.655542 0.677554 Tm\n0.250000 0.344458 0.322446 Tm\n0.750000 0.728119 0.142252 H\n0.750000 0.136266 0.136093 H\n0.750000 0.139418 0.688596 H\n0.250000 0.271881 0.857748 H\n0.250000 0.863734 0.863907 H\n0.250000 0.860582 0.311404 H\n0.750000 0.606369 0.087152 O\n0.750000 0.093983 0.304331 O\n0.750000 0.314236 0.589686 O\n0.250000 0.393631 0.912848 O\n0.250000 0.906017 0.695669 O\n0.250000 0.685764 0.410314 O\n",
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{
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"structure_string": "Zn4 Sn4 N8\n1.0\n5.540328 0.000000 0.000000\n0.000000 5.911444 0.000000\n0.000000 0.000000 6.814597\nZn Sn N\n4 4 8\ndirect\n0.998790 0.582928 0.874985 Zn\n0.498790 0.417072 0.125015 Zn\n0.498790 0.917072 0.374985 Zn\n0.998790 0.082928 0.625015 Zn\n0.999293 0.587280 0.374995 Sn\n0.499293 0.412720 0.625005 Sn\n0.499293 0.912720 0.874995 Sn\n0.999293 0.087280 0.125005 Sn\n0.378062 0.582262 0.374351 N\n0.878062 0.417738 0.625649 N\n0.878062 0.917738 0.874351 N\n0.378062 0.082262 0.125649 N\n0.373855 0.580560 0.875751 N\n0.873855 0.419440 0.124249 N\n0.873855 0.919440 0.375751 N\n0.373855 0.080560 0.624249 N\n",
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{
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"structure_string": "K4 Na2 As2\n1.0\n2.689770 -4.658819 0.000000\n2.689770 4.658819 0.000000\n0.000000 0.000000 10.655690\nK Na As\n4 2 2\ndirect\n0.333333 0.666667 0.084412 K\n0.333333 0.666667 0.415588 K\n0.666667 0.333333 0.584412 K\n0.666667 0.333333 0.915588 K\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
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{
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"structure_string": "Y2 Cu1 Hg1\n1.0\n-5.841317 5.939245 8.370870\n5.841317 -5.939245 8.370870\n5.841317 5.939245 -8.370870\nY Cu Hg\n2 1 1\ndirect\n0.000000 0.238376 0.238376 Y\n0.000000 0.761624 0.761624 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Hg\n",
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{
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{
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{
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{
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"structure_string": "Ba4 Zr4 Se12\n1.0\n4.075319 0.000000 0.000000\n0.000000 9.180483 0.000000\n0.000000 0.000000 15.178798\nBa Zr Se\n4 4 12\ndirect\n0.750000 0.566456 0.174545 Ba\n0.250000 0.433544 0.825455 Ba\n0.750000 0.066456 0.325455 Ba\n0.250000 0.933544 0.674545 Ba\n0.250000 0.663675 0.441024 Zr\n0.750000 0.336325 0.558976 Zr\n0.250000 0.163675 0.058976 Zr\n0.750000 0.836325 0.941024 Zr\n0.750000 0.831851 0.505442 Se\n0.250000 0.168149 0.494558 Se\n0.750000 0.331851 0.994558 Se\n0.250000 0.668149 0.005442 Se\n0.250000 0.524144 0.605067 Se\n0.750000 0.475856 0.394933 Se\n0.250000 0.024144 0.894933 Se\n0.750000 0.975856 0.105067 Se\n0.250000 0.786143 0.286682 Se\n0.750000 0.213857 0.713318 Se\n0.250000 0.286143 0.213318 Se\n0.750000 0.713857 0.786682 Se\n",
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