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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197031

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-1197031
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ba', 'V', 'O']
  • Chemical System: Ba-O-V
  • Density: 4.963464194525673
  • Atomic Density: 0.08692388361132194
  • Unit Cell Volume: 414.15544847228796
  • Molar Volume: 6.9280622422806815
  • Full Formula: Ba2 V12 O22
  • Reduced Formula: BaV6O11
  • Formula Anonymous: AB6C11
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -315.83342588
  • Final energy per atom: -8.773150718888889
  • 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.