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"id": "mp-759774",
"created_at": "2022-09-04T14:39:14.462555Z",
"structure_string": "Na6 Ti11 O24\n1.0\n3.048368 5.416263 0.000000\n-3.048368 5.416263 0.000000\n0.000000 0.316512 15.080891\nNa Ti O\n6 11 24\ndirect\n0.663098 0.663098 0.916116 Na\n0.669889 0.669889 0.663629 Na\n0.833264 0.833264 0.458014 Na\n0.334789 0.334789 0.585055 Na\n0.331587 0.331587 0.332168 Na\n0.997370 0.997370 0.250357 Na\n0.166294 0.669792 0.795149 Ti\n0.334613 0.334613 0.961774 Ti\n0.669792 0.166294 0.795149 Ti\n0.334320 0.832358 0.457143 Ti\n0.163936 0.163936 0.795650 Ti\n0.001667 0.001667 0.619657 Ti\n0.832358 0.334320 0.457143 Ti\n0.666747 0.666747 0.294100 Ti\n0.000581 0.497884 0.121384 Ti\n0.500423 0.500423 0.122090 Ti\n0.497884 0.000581 0.121384 Ti\n0.862825 0.862825 0.715631 O\n0.289269 0.861425 0.721621 O\n0.474430 0.474430 0.868765 O\n0.050835 0.477467 0.869726 O\n0.477467 0.050835 0.869726 O\n0.334245 0.334245 0.729827 O\n0.169864 0.726168 0.548208 O\n0.495747 0.940357 0.368543 O\n0.861425 0.289269 0.721621 O\n0.647942 0.647942 0.520673 O\n0.998002 0.998002 0.859532 O\n0.940357 0.495747 0.368543 O\n0.517252 0.517252 0.381131 O\n0.380264 0.804152 0.196303 O\n0.726168 0.169864 0.548208 O\n0.803704 0.803704 0.202131 O\n0.148645 0.148645 0.535976 O\n0.804152 0.380264 0.196303 O\n0.669042 0.669042 0.058481 O\n0.018294 0.018294 0.395119 O\n0.189363 0.616766 0.046301 O\n0.332959 0.332959 0.187439 O\n0.616766 0.189363 0.046301 O\n0.192371 0.192371 0.047926 O\n",
"nsites": 41,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 3.4960475604953167,
"density_atomic": 0.08233030449006279,
"volume": 497.9940284922506,
"volume_molar": 7.31461009077996,
"formula_full": "Na6 Ti11 O24",
"formula_reduced": "Na6Ti11O24",
"formula_anonymous": "A6B11C24",
"energy": -341.62746496,
"energy_per_atom": -8.332377194146341,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -325.13946496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0224211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.784000Z",
"spacegroup": 8
}
]
}