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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-1047835
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 28
Number of elements: 4
Element list: ['Ba', 'Y', 'V', 'O']
Chemical System: Ba-O-V-Y
Density: 5.5787817970571805
Atomic Density: 0.07299221858909072
Unit Cell Volume: 383.6025338211165
Molar Volume: 8.250387337726515
Full Formula: Ba4 Y2 V6 O16
Reduced Formula: Ba2YV3O8
Formula Anonymous: AB2C3D8
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -236.02393498000004
Final energy per atom: -8.429426249285715
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.