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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-1147536
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 7
Number of elements: 4
Element list: ['Ca', 'Cu', 'S', 'O']
Chemical System: Ca-Cu-O-S
Density: 3.4464286599728196
Atomic Density: 0.060577769668361446
Unit Cell Volume: 115.55394063403361
Molar Volume: 9.941172798154772
Full Formula: Ca2 Cu1 S2 O2
Reduced Formula: Ca2Cu(SO)2
Formula Anonymous: AB2C2D2
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -39.83222296
Final energy per atom: -5.690317565714286
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.