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  1. Third-Parties
  2. MatprojStructure
  3. mp-766046

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-766046
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Tl', 'W', 'O']
  • Chemical System: O-Tl-W
  • Density: 7.858869655056549
  • Atomic Density: 0.06836929509634147
  • Unit Cell Volume: 190.1438354992729
  • Molar Volume: 8.808253400176204
  • Full Formula: Tl1 W3 O9
  • Reduced Formula: Tl(WO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 183
  • Spacegroup Symbol: P6mm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -112.75621877
  • Final energy per atom: -8.67355529
  • 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.