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{
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{
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{
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{
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"structure_string": "K4 As4 Se8\n1.0\n5.616487 3.969078 0.000000\n-5.616487 3.969078 0.000000\n0.000000 3.818081 12.308697\nK As Se\n4 4 8\ndirect\n0.789800 0.340911 0.255504 K\n0.126067 0.133073 0.495013 K\n0.340911 0.789800 0.755504 K\n0.133073 0.126067 0.995013 K\n0.407925 0.695049 0.176622 As\n0.541861 0.696113 0.444402 As\n0.695049 0.407925 0.676622 As\n0.696113 0.541861 0.944402 As\n0.311133 0.324673 0.208743 Se\n0.612806 0.848027 0.983909 Se\n0.582527 0.013048 0.497651 Se\n0.731262 0.819016 0.247992 Se\n0.324673 0.311133 0.708743 Se\n0.848027 0.612806 0.483909 Se\n0.013048 0.582527 0.997651 Se\n0.819016 0.731262 0.747992 Se\n",
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"formula_full": "K4 As4 Se8",
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"spacegroup": 9
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{
"id": "mp-690653",
"created_at": "2022-09-04T14:44:09.579434Z",
"structure_string": "Na2 H6 C2 N8 O2\n1.0\n5.722832 0.000000 0.000000\n0.000000 5.877142 0.000000\n0.000000 0.000000 6.526694\nNa H C N O\n2 6 2 8 2\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.675805 0.500000 0.750000 H\n0.324195 0.500000 0.250000 H\n0.909850 0.135808 0.750000 H\n0.090150 0.135808 0.250000 H\n0.090150 0.864192 0.250000 H\n0.909850 0.864192 0.750000 H\n0.485278 0.500000 0.750000 C\n0.514722 0.500000 0.250000 C\n0.131387 0.387886 0.750000 N\n0.868613 0.387886 0.250000 N\n0.868613 0.612114 0.250000 N\n0.131387 0.612114 0.750000 N\n0.354475 0.311258 0.750000 N\n0.645525 0.311258 0.250000 N\n0.645525 0.688742 0.250000 N\n0.354475 0.688742 0.750000 N\n0.806557 0.000000 0.750000 O\n0.193443 0.000000 0.250000 O\n",
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{
"id": "mp-1199581",
"created_at": "2022-09-04T14:44:09.784729Z",
"structure_string": "Hg4 H12 C4 N12\n1.0\n7.512167 0.000000 0.000000\n0.000000 7.696102 0.000000\n0.000000 2.237540 9.095852\nHg H C N\n4 12 4 12\ndirect\n0.630597 0.259405 0.679052 Hg\n0.130597 0.240595 0.320948 Hg\n0.369403 0.740595 0.320948 Hg\n0.869403 0.759405 0.679052 Hg\n0.585383 0.441274 0.883956 H\n0.085383 0.058726 0.116044 H\n0.414617 0.558726 0.116044 H\n0.914617 0.941274 0.883956 H\n0.385000 0.323150 0.862074 H\n0.885000 0.176850 0.137926 H\n0.615000 0.676850 0.137926 H\n0.115000 0.823150 0.862074 H\n0.568748 0.205455 0.964443 H\n0.068748 0.294545 0.035557 H\n0.431252 0.794545 0.035557 H\n0.931252 0.705455 0.964443 H\n0.530127 0.314258 0.871295 C\n0.030127 0.185742 0.128705 C\n0.469873 0.685742 0.128705 C\n0.969873 0.814258 0.871295 C\n0.653428 0.174126 0.393291 N\n0.153428 0.325874 0.606709 N\n0.346572 0.825874 0.606709 N\n0.846572 0.674126 0.393291 N\n0.570485 0.153528 0.294086 N\n0.070485 0.346472 0.705914 N\n0.429515 0.846472 0.705914 N\n0.929515 0.653528 0.294086 N\n0.750912 0.193418 0.492188 N\n0.250912 0.306582 0.507812 N\n0.249088 0.806582 0.507812 N\n0.749088 0.693418 0.492188 N\n",
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{
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"structure_string": "Ce10 Sn6\n1.0\n0.000000 0.000000 -6.811725\n0.000000 -9.381270 0.000000\n-8.144219 4.690635 0.000000\nCe Sn\n10 6\ndirect\n0.500000 0.333375 0.666749 Ce\n0.500000 0.666625 0.333251 Ce\n0.000000 0.666625 0.333251 Ce\n0.000000 0.333375 0.666749 Ce\n0.750000 0.250689 0.000000 Ce\n0.750000 0.749253 0.749234 Ce\n0.750000 0.000019 0.250766 Ce\n0.250000 0.749311 0.000000 Ce\n0.250000 0.250747 0.250766 Ce\n0.250000 0.999981 0.749234 Ce\n0.750000 0.610248 0.000000 Sn\n0.750000 0.389941 0.390074 Sn\n0.750000 0.999867 0.609926 Sn\n0.250000 0.389752 0.000000 Sn\n0.250000 0.610059 0.609926 Sn\n0.250000 0.000133 0.390074 Sn\n",
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{
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"structure_string": "P4 H40 C8 N4 O16\n1.0\n9.494451 0.000000 0.000000\n0.000000 6.859026 0.000000\n0.000000 0.495913 9.646891\nP H C N O\n4 40 8 4 16\ndirect\n0.675361 0.744786 0.520735 P\n0.824639 0.744786 0.020735 P\n0.175361 0.255214 0.979265 P\n0.324639 0.255214 0.479265 P\n0.706083 0.072975 0.688112 H\n0.342587 0.879667 0.071963 H\n0.842587 0.120333 0.428037 H\n0.100085 0.803722 0.178840 H\n0.655625 0.308117 0.644536 H\n0.000000 0.000000 0.000000 H\n0.787496 0.758412 0.315782 H\n0.600085 0.196278 0.321160 H\n0.793917 0.072975 0.188112 H\n0.293917 0.927025 0.311888 H\n0.612756 0.370919 0.883856 H\n0.206083 0.927025 0.811888 H\n0.505816 0.176727 0.823139 H\n0.157413 0.879667 0.571963 H\n0.899915 0.196278 0.821160 H\n0.657362 0.439808 0.273743 H\n0.344375 0.691883 0.355464 H\n0.342638 0.560192 0.726257 H\n0.112756 0.629081 0.616144 H\n0.712504 0.758412 0.815782 H\n0.005816 0.823273 0.676861 H\n0.155625 0.691883 0.855464 H\n0.844375 0.308117 0.144536 H\n0.994184 0.176727 0.323139 H\n0.157362 0.560192 0.226257 H\n0.000000 0.500000 0.000000 H\n0.387244 0.629081 0.116144 H\n0.405857 0.715521 0.856074 H\n0.500000 0.000000 0.500000 H\n0.887244 0.370919 0.383856 H\n0.657413 0.120333 0.928037 H\n0.842638 0.439808 0.773743 H\n0.212504 0.241588 0.684218 H\n0.094143 0.715521 0.356074 H\n0.287496 0.241588 0.184218 H\n0.494184 0.823273 0.176861 H\n0.594143 0.284479 0.143926 H\n0.905857 0.284479 0.643926 H\n0.399915 0.803722 0.678840 H\n0.500000 0.500000 0.500000 H\n0.386902 0.778285 0.151708 C\n0.847808 0.289413 0.741586 C\n0.613098 0.221715 0.848292 C\n0.886902 0.221715 0.348292 C\n0.152192 0.710587 0.258414 C\n0.652192 0.289413 0.241586 C\n0.347808 0.710587 0.758414 C\n0.113098 0.778285 0.651708 C\n0.701980 0.217098 0.721488 N\n0.201980 0.782902 0.778512 N\n0.298020 0.782902 0.278512 N\n0.798020 0.217098 0.221488 N\n0.693406 0.729111 0.918560 O\n0.770839 0.827747 0.154537 O\n0.563427 0.874394 0.443724 O\n0.193406 0.270889 0.581440 O\n0.229161 0.172253 0.845463 O\n0.063427 0.125606 0.056276 O\n0.306594 0.270889 0.081440 O\n0.806594 0.729111 0.418560 O\n0.385684 0.465271 0.452182 O\n0.114316 0.465271 0.952182 O\n0.270839 0.172253 0.345463 O\n0.936573 0.874394 0.943724 O\n0.729161 0.827747 0.654537 O\n0.885684 0.534729 0.047818 O\n0.614316 0.534729 0.547818 O\n0.436573 0.125606 0.556276 O\n",
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{
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{
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}