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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-550306
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 11
Number of elements: 5
Element list: ['Y', 'Cu', 'Bi', 'Se', 'O']
Chemical System: Bi-Cu-O-Se-Y
Density: 7.470141539209849
Atomic Density: 0.05781778411069376
Unit Cell Volume: 190.25288099834808
Molar Volume: 10.41572390334165
Full Formula: Y1 Cu2 Bi2 Se2 O4
Reduced Formula: YCu2Bi2(SeO2)2
Formula Anonymous: AB2C2D2E4
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -68.33926126
Final energy per atom: -6.2126601145454545
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.