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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226157

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-1226157
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'W', 'O']
  • Chemical System: Cs-O-Ti-W
  • Density: 6.175229036558174
  • Atomic Density: 0.06331741004970333
  • Unit Cell Volume: 284.2820005725161
  • Molar Volume: 9.511034572122735
  • Full Formula: Cs2 Ti1 W3 O12
  • Reduced Formula: Cs2Ti(WO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -153.08953219
  • Final energy per atom: -8.504974010555555
  • 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.