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  1. Third-Parties
  2. MatprojStructure
  3. mp-849537

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-849537
  • 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: 34
  • Number of elements: 2
  • Element list: ['V', 'O']
  • Chemical System: O-V
  • Density: 4.048801227514153
  • Atomic Density: 0.0860600448519919
  • Unit Cell Volume: 395.0729988402168
  • Molar Volume: 6.997603557326771
  • Full Formula: V12 O22
  • Reduced Formula: V6O11
  • Formula Anonymous: A6B11
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -301.22939864
  • Final energy per atom: -8.859688195294117
  • 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.