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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-729102
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: 160
Number of elements: 6
Element list: ['Mo', 'As', 'H', 'C', 'N', 'O']
Chemical System: As-C-H-Mo-N-O
Density: 2.083253756976184
Atomic Density: 0.08913296056419866
Unit Cell Volume: 1795.0710824281311
Molar Volume: 6.756356707867355
Full Formula: Mo8 As4 H72 C24 N4 O48
Reduced Formula: Mo2AsH18C6NO12
Formula Anonymous: ABC2D6E12F18
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -918.69134922
Final energy per atom: -5.741820932625
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.