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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-1213034
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 6
Number of elements: 4
Element list: ['Cu', 'Bi', 'Se', 'O']
Chemical System: Bi-Cu-O-Se
Density: 7.0670469060997725
Atomic Density: 0.038959765026875086
Unit Cell Volume: 154.00503560175738
Molar Volume: 15.457333369043237
Full Formula: Cu1 Bi2 Se2 O1
Reduced Formula: CuBi2Se2O
Formula Anonymous: ABC2D2
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -25.55499322
Final energy per atom: -4.259165536666667
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.