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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-1214013
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: 60
Number of elements: 6
Element list: ['Cr', 'H', 'C', 'N', 'Cl', 'O']
Chemical System: C-Cl-Cr-H-N-O
Density: 1.7382112442685123
Atomic Density: 0.08030466567126013
Unit Cell Volume: 747.1545955451643
Molar Volume: 7.4991169064230805
Full Formula: Cr4 H24 C4 N12 Cl4 O12
Reduced Formula: CrH6CN3ClO3
Formula Anonymous: ABCD3E3F6
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -374.05678946
Final energy per atom: -6.234279824333333
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.