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  1. Third-Parties
  2. MatprojStructure
  3. mp-18929

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-18929
  • 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: 27
  • Number of elements: 3
  • Element list: ['Ba', 'V', 'O']
  • Chemical System: Ba-O-V
  • Density: 3.7057160593095038
  • Atomic Density: 0.05991744000150281
  • Unit Cell Volume: 450.6200531818917
  • Molar Volume: 10.050731072370509
  • Full Formula: Ba3 V6 O18
  • Reduced Formula: BaV2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -222.05361907
  • Final energy per atom: -8.224208113703703
  • 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.