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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-19050
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 28
Number of elements: 3
Element list: ['Ca', 'Mn', 'O']
Chemical System: Ca-Mn-O
Density: 3.9298682598601204
Atomic Density: 0.08320968911638009
Unit Cell Volume: 336.49927427127125
Molar Volume: 7.237307126069435
Full Formula: Ca8 Mn4 O16
Reduced Formula: Ca2MnO4
Formula Anonymous: AB2C4
Spacegroup Number: 142
Spacegroup Symbol: I4_1/acd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -208.81498495
Final energy per atom: -7.4576780339285715
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.