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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-746774
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: 54
Number of elements: 5
Element list: ['Mn', 'Cu', 'H', 'N', 'O']
Chemical System: Cu-H-Mn-N-O
Density: 1.546667458208675
Atomic Density: 0.06805356812928953
Unit Cell Volume: 793.4925601169026
Molar Volume: 8.849118313031017
Full Formula: Mn4 Cu2 H24 N8 O16
Reduced Formula: Mn2CuH12(NO2)4
Formula Anonymous: AB2C4D8E12
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -299.18431582
Final energy per atom: -5.540450292962963
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.