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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-608239
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 82
Number of elements: 5
Element list: ['Cu', 'Ge', 'C', 'S', 'N']
Chemical System: C-Cu-Ge-N-S
Density: 2.2260899271219485
Atomic Density: 0.03558214131437385
Unit Cell Volume: 2304.5268488907686
Molar Volume: 16.92461593807251
Full Formula: Cu16 Ge10 C8 S32 N16
Reduced Formula: Cu8Ge5C4(S2N)8
Formula Anonymous: A4B5C8D8E16
Spacegroup Number: 131
Spacegroup Symbol: P4_2/mmc
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -451.63117331
Final energy per atom: -5.507697235487805
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.