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  1. Third-Parties
  2. MatprojStructure
  3. mp-558147

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-558147
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Tl', 'V', 'H', 'S', 'O']
  • Chemical System: H-O-S-Tl-V
  • Density: 3.563456886547499
  • Atomic Density: 0.08830480306543957
  • Unit Cell Volume: 407.678843622149
  • Molar Volume: 6.819720503240582
  • Full Formula: Tl2 V2 H12 S2 O18
  • Reduced Formula: TlVH6SO9
  • Formula Anonymous: ABCD6E9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -218.60295107
  • Final energy per atom: -6.072304196388888
  • 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.