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  1. Third-Parties
  2. MatprojStructure
  3. mp-29047

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-29047
  • 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: 8
  • Number of elements: 3
  • Element list: ['Tl', 'V', 'O']
  • Chemical System: O-Tl-V
  • Density: 7.142313104021458
  • Atomic Density: 0.04726017273083238
  • Unit Cell Volume: 169.27572494420502
  • Molar Volume: 12.742528035813072
  • Full Formula: Tl3 V1 O4
  • Reduced Formula: Tl3VO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -49.35707296
  • Final energy per atom: -6.16963412
  • 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.