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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214664

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-1214664
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Ta', 'V', 'O']
  • Chemical System: Ba-Na-O-Ta-V
  • Density: 5.616105675320433
  • Atomic Density: 0.06108253222752697
  • Unit Cell Volume: 949.5349633501635
  • Molar Volume: 9.859022768682975
  • Full Formula: Ba12 Na4 Ta4 V4 O34
  • Reduced Formula: Ba6Na2Ta2V2O17
  • Formula Anonymous: A2B2C2D6E17
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -458.83146103
  • Final energy per atom: -7.910887259137931
  • 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.