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  1. Third-Parties
  2. MatprojStructure
  3. mp-755152

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-755152
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ti', 'Mn', 'V', 'O']
  • Chemical System: Mn-O-Ti-V
  • Density: 3.162951566125604
  • Atomic Density: 0.06876938940234623
  • Unit Cell Volume: 261.7443626653153
  • Molar Volume: 8.757007750594543
  • Full Formula: Ti1 Mn1 V4 O12
  • Reduced Formula: TiMnV4O12
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -157.89155807
  • Final energy per atom: -8.77175322611111
  • 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.