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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-23512
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 42
Number of elements: 3
Element list: ['Mn', 'Cl', 'O']
Chemical System: Cl-Mn-O
Density: 4.033794213030756
Atomic Density: 0.0722714866469521
Unit Cell Volume: 581.1420512929391
Molar Volume: 8.332664843907665
Full Formula: Mn16 Cl6 O20
Reduced Formula: Mn8Cl3O10
Formula Anonymous: A3B8C10
Spacegroup Number: 225
Spacegroup Symbol: Fm-3m
Crystal System: cubic
Pointgroup: m-3m

Thermodynamics:

Final energy: -337.50753013
Final energy per atom: -8.03589357452381
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.