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{
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{
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{
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{
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{
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"structure_string": "Cu9 Se5\n1.0\n5.805759 0.000000 0.000000\n2.886059 6.504540 0.000000\n2.899194 0.158093 6.512661\nCu Se\n9 5\ndirect\n0.470258 0.893512 0.694259 Cu\n0.853388 0.710919 0.108938 Cu\n0.263901 0.503285 0.481910 Cu\n0.066896 0.795132 0.729548 Cu\n0.385331 0.792607 0.075179 Cu\n0.637581 0.300977 0.901087 Cu\n0.048889 0.097278 0.311968 Cu\n0.864780 0.401720 0.531936 Cu\n0.592468 0.190499 0.271696 Cu\n0.994999 0.006014 0.990824 Se\n0.409730 0.803178 0.400348 Se\n0.789761 0.596336 0.807301 Se\n0.190459 0.402248 0.188507 Se\n0.581641 0.200921 0.609787 Se\n",
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{
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"structure_string": "K16 P8 Se24\n1.0\n12.615241 0.000000 0.000000\n0.000000 8.950228 0.000000\n0.000000 0.305570 14.055666\nK P Se\n16 8 24\ndirect\n0.264770 0.725321 0.078248 K\n0.564880 0.321884 0.187030 K\n0.935120 0.821884 0.187030 K\n0.789547 0.668286 0.561274 K\n0.064880 0.178116 0.812970 K\n0.764770 0.774679 0.921752 K\n0.735230 0.274679 0.921752 K\n0.235230 0.225321 0.078248 K\n0.289547 0.831714 0.438726 K\n0.210453 0.331714 0.438726 K\n0.710453 0.168286 0.561274 K\n0.897158 0.284332 0.294384 K\n0.397158 0.215668 0.705616 K\n0.102842 0.715668 0.705616 K\n0.435120 0.678116 0.812970 K\n0.602842 0.784332 0.294384 K\n0.992352 0.928867 0.432148 P\n0.007648 0.071133 0.567852 P\n0.507648 0.428867 0.432148 P\n0.528538 0.937411 0.068697 P\n0.028538 0.562589 0.931303 P\n0.471462 0.062589 0.931303 P\n0.971462 0.437411 0.068697 P\n0.492352 0.571133 0.567852 P\n0.676031 0.452915 0.389657 Se\n0.176031 0.047085 0.610343 Se\n0.323969 0.547085 0.610343 Se\n0.823969 0.952915 0.389657 Se\n0.465161 0.196505 0.468676 Se\n0.965161 0.303495 0.531324 Se\n0.534839 0.803495 0.531324 Se\n0.034839 0.696505 0.468676 Se\n0.400877 0.531346 0.324041 Se\n0.900877 0.968654 0.675959 Se\n0.599123 0.468654 0.675959 Se\n0.099123 0.031346 0.324041 Se\n0.083932 0.497467 0.182507 Se\n0.583932 0.002533 0.817493 Se\n0.916068 0.502533 0.817493 Se\n0.416068 0.997467 0.182507 Se\n0.970633 0.195411 0.039911 Se\n0.470633 0.304589 0.960089 Se\n0.029367 0.804589 0.960089 Se\n0.529367 0.695411 0.039911 Se\n0.809407 0.519736 0.097861 Se\n0.309407 0.980264 0.902139 Se\n0.190593 0.480264 0.902139 Se\n0.690593 0.019736 0.097861 Se\n",
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{
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.35046995,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.930000Z",
"spacegroup": 216
}
]
}