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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-775341
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 84
Number of elements: 5
Element list: ['Na', 'Cr', 'H', 'S', 'O']
Chemical System: Cr-H-Na-O-S
Density: 2.2225416600196177
Atomic Density: 0.09493181256548172
Unit Cell Volume: 884.8456353033266
Molar Volume: 6.343648769843164
Full Formula: Na16 Cr4 H32 S4 O28
Reduced Formula: Na4CrH8SO7
Formula Anonymous: ABC4D7E8
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -452.1912721700001
Final energy per atom: -5.3832294305952395
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.