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  1. Third-Parties
  2. MatprojStructure
  3. mp-796383

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-796383
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 2
  • Element list: ['V', 'O']
  • Chemical System: O-V
  • Density: 3.0708328519033268
  • Atomic Density: 0.07243895802211645
  • Unit Cell Volume: 607.4079639103353
  • Molar Volume: 8.313400585029637
  • Full Formula: V12 O32
  • Reduced Formula: V3O8
  • Formula Anonymous: A3B8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -357.8433941200001
  • Final energy per atom: -8.132804411818183
  • 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.