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  1. Third-Parties
  2. MatprojStructure
  3. mp-33436

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-33436
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 3
  • Element list: ['Tl', 'W', 'O']
  • Chemical System: O-Tl-W
  • Density: 6.996297633029869
  • Atomic Density: 0.06602162318447558
  • Unit Cell Volume: 378.66381942997333
  • Molar Volume: 9.121467285306089
  • Full Formula: Tl1 W6 O18
  • Reduced Formula: Tl(WO3)6
  • Formula Anonymous: AB6C18
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -222.75903274
  • Final energy per atom: -8.9103613096
  • 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.