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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-557200
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 38
Number of elements: 5
Element list: ['K', 'Nb', 'Al', 'O', 'F']
Chemical System: Al-F-K-Nb-O
Density: 5.1233655034361165
Atomic Density: 0.07461517706399284
Unit Cell Volume: 509.27976713651356
Molar Volume: 8.070932747147651
Full Formula: K4 Nb11 Al2 O20 F1
Reduced Formula: K4Nb11Al2O20F
Formula Anonymous: AB2C4D11E20
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -328.66100125
Final energy per atom: -8.648973717105264
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.