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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-19501
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 58
Number of elements: 5
Element list: ['Ba', 'Na', 'V', 'Ru', 'O']
Chemical System: Ba-Na-O-Ru-V
Density: 5.195806751847978
Atomic Density: 0.06275485228928256
Unit Cell Volume: 924.2313205142449
Molar Volume: 9.596295011961134
Full Formula: Ba12 Na4 V4 Ru4 O34
Reduced Formula: Ba6Na2V2Ru2O17
Formula Anonymous: A2B2C2D6E17
Spacegroup Number: 194
Spacegroup Symbol: P6_3/mmc
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -420.89502179
Final energy per atom: -7.256810720517241
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.