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{
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{
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"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n6.449987 0.000000 0.000000\n0.018036 8.431326 0.000000\n0.042180 0.817983 9.949460\nLi Co P C O\n12 4 4 4 28\ndirect\n0.251447 0.902132 0.612986 Li\n0.256381 0.902468 0.121414 Li\n0.494736 0.723402 0.889444 Li\n0.013372 0.725660 0.365268 Li\n0.485729 0.725444 0.364784 Li\n0.743084 0.657853 0.119125 Li\n0.524144 0.277800 0.620415 Li\n0.974112 0.278639 0.619106 Li\n0.530024 0.278978 0.128181 Li\n0.971114 0.278287 0.128035 Li\n0.749660 0.101575 0.887316 Li\n0.749296 0.090271 0.376417 Li\n0.005206 0.727878 0.888111 Co\n0.748773 0.666555 0.599761 Co\n0.250033 0.332709 0.897676 Co\n0.249089 0.333479 0.394003 Co\n0.247360 0.588519 0.640141 P\n0.253865 0.586932 0.136971 P\n0.752773 0.414461 0.856549 P\n0.749556 0.412136 0.359830 P\n0.753440 0.962671 0.649920 C\n0.753635 0.961432 0.145930 C\n0.245072 0.036170 0.852963 C\n0.250066 0.037153 0.351274 C\n0.749084 0.928249 0.526762 O\n0.231917 0.888447 0.819638 O\n0.758335 0.928253 0.021825 O\n0.757269 0.843249 0.743731 O\n0.250181 0.890535 0.321296 O\n0.752080 0.850843 0.243578 O\n0.061574 0.692373 0.586180 O\n0.436469 0.691568 0.590008 O\n0.060509 0.687203 0.085852 O\n0.439660 0.689526 0.086741 O\n0.756297 0.581906 0.909451 O\n0.240382 0.571062 0.798578 O\n0.749504 0.580613 0.411586 O\n0.247775 0.566916 0.294010 O\n0.751425 0.432116 0.699959 O\n0.249359 0.420387 0.590228 O\n0.749957 0.428950 0.205202 O\n0.250336 0.418196 0.085565 O\n0.938017 0.308159 0.908730 O\n0.562929 0.315599 0.911175 O\n0.561427 0.309899 0.415303 O\n0.936888 0.308714 0.414846 O\n0.258368 0.150464 0.758266 O\n0.751905 0.107304 0.683782 O\n0.251057 0.153012 0.256261 O\n0.246894 0.068747 0.976080 O\n0.749275 0.110959 0.175141 O\n0.249157 0.074148 0.474604 O\n",
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{
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{
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{
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{
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{
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"volume_molar": 10.828866582757351,
"formula_full": "Np4 Cr4 O44",
"formula_reduced": "NpCrO11",
"formula_anonymous": "ABC11",
"energy": -348.61530233,
"energy_per_atom": -6.704140429423077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -340.61930233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999719,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.986000Z",
"spacegroup": 14
}
]
}