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  1. Third-Parties
  2. MatprojStructure
  3. mp-561465

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-561465
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Tl', 'Sb', 'O']
  • Chemical System: O-Sb-Tl
  • Density: 6.051326127328891
  • Atomic Density: 0.04870074254798495
  • Unit Cell Volume: 410.6713564027069
  • Molar Volume: 12.365603571786142
  • Full Formula: Tl4 Sb4 O12
  • Reduced Formula: TlSbO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -116.93542793
  • Final energy per atom: -5.8467713965
  • 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.