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  1. Third-Parties
  2. MatprojStructure
  3. mp-780654

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-780654
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['V', 'O']
  • Chemical System: O-V
  • Density: 4.704386877724395
  • Atomic Density: 0.09450978500620366
  • Unit Cell Volume: 423.2365992301684
  • Molar Volume: 6.371975938369454
  • Full Formula: V16 O24
  • Reduced Formula: V2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -364.24661695
  • Final energy per atom: -9.10616542375
  • 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.