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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-704255
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 180
Number of elements: 5
Element list: ['Mn', 'Fe', 'Sn', 'C', 'O']
Chemical System: C-Fe-Mn-O-Sn
Density: 2.2780462020893855
Atomic Density: 0.058961663307679255
Unit Cell Volume: 3052.831109270225
Molar Volume: 10.213654809184574
Full Formula: Mn8 Fe12 Sn8 C76 O76
Reduced Formula: Mn2Fe3Sn2(CO)19
Formula Anonymous: A2B2C3D19E19
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -1394.73715608
Final energy per atom: -7.748539756
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.