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{
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{
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{
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"structure_string": "Ce24 Se48\n1.0\n2.302308 8.201264 0.000000\n15.783674 -0.007096 4.310501\n15.773689 -0.004293 -36.300108\nCe Se\n24 48\ndirect\n0.008078 0.963514 0.935892 Ce\n0.092516 0.463514 0.435892 Ce\n0.754858 0.830320 0.763641 Ce\n0.651182 0.330320 0.263641 Ce\n0.870188 0.283061 0.877265 Ce\n0.969486 0.783061 0.377265 Ce\n0.529369 0.146103 0.704080 Ce\n0.620448 0.646103 0.204080 Ce\n0.374917 0.348496 0.802728 Ce\n0.473859 0.848496 0.302728 Ce\n0.821171 0.509658 0.961194 Ce\n0.707978 0.009658 0.461194 Ce\n0.354203 0.662214 0.734310 Ce\n0.249273 0.162214 0.234310 Ce\n0.605658 0.812687 0.896786 Ce\n0.684870 0.312687 0.396786 Ce\n0.389308 0.696456 0.597906 Ce\n0.316330 0.196456 0.097906 Ce\n0.982919 0.538529 0.564169 Ce\n0.914383 0.038529 0.064169 Ce\n0.165686 0.011671 0.539392 Ce\n0.283251 0.511671 0.039392 Ce\n0.024593 0.231309 0.630014 Ce\n0.114084 0.731309 0.130014 Ce\n0.228206 0.168946 0.681450 Se\n0.921399 0.668946 0.181450 Se\n0.727511 0.205355 0.653276 Se\n0.413858 0.705355 0.153276 Se\n0.590039 0.521667 0.014694 Se\n0.873600 0.021667 0.514694 Se\n0.106221 0.513351 0.985630 Se\n0.394798 0.013351 0.485630 Se\n0.066213 0.342233 0.826190 Se\n0.765364 0.842233 0.326190 Se\n0.563382 0.317813 0.856376 Se\n0.262429 0.817813 0.356376 Se\n0.713842 0.664354 0.578759 Se\n0.043045 0.164354 0.078759 Se\n0.245385 0.604156 0.564485 Se\n0.585973 0.104156 0.064486 Se\n0.627131 0.707197 0.746266 Se\n0.919406 0.207197 0.246266 Se\n0.085788 0.772865 0.759520 Se\n0.381827 0.272865 0.259520 Se\n0.279763 0.846718 0.915319 Se\n0.958200 0.346718 0.415319 Se\n0.740575 0.903155 0.933275 Se\n0.422995 0.403155 0.433275 Se\n0.984652 0.112539 0.894225 Se\n0.008584 0.612539 0.394225 Se\n0.863364 0.361735 0.933457 Se\n0.841444 0.861735 0.433457 Se\n0.647164 0.868658 0.828691 Se\n0.655486 0.368658 0.328691 Se\n0.656513 0.975747 0.719958 Se\n0.647783 0.475747 0.219958 Se\n0.364826 0.504474 0.767460 Se\n0.363240 0.004474 0.267460 Se\n0.333838 0.661221 0.666537 Se\n0.338405 0.161221 0.166537 Se\n0.510936 0.229316 0.759773 Se\n0.499974 0.729316 0.259773 Se\n0.125977 0.150743 0.573030 Se\n0.150250 0.650743 0.073030 Se\n0.000511 0.401091 0.612660 Se\n0.985738 0.901091 0.112660 Se\n0.029845 0.999703 0.000009 Se\n0.970443 0.499703 0.500009 Se\n0.732984 0.640916 0.910730 Se\n0.715371 0.140916 0.410730 Se\n0.253961 0.866734 0.583752 Se\n0.295553 0.366734 0.083752 Se\n",
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{
"id": "mp-581476",
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{
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"volume": 330.52501428729124,
"volume_molar": 19.904681607390792,
"formula_full": "Hf2 Cl8",
"formula_reduced": "HfCl4",
"formula_anonymous": "AB4",
"energy": -57.94366443,
"energy_per_atom": -5.7943664429999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.031664430000006,
"band_gap": 3.8906,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.383000Z",
"spacegroup": 13
}
]
}