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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226158

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-1226158
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cs', 'Zr', 'W', 'O']
  • Chemical System: Cs-O-W-Zr
  • Density: 6.0873839062795065
  • Atomic Density: 0.059957736256008705
  • Unit Cell Volume: 300.2114676768858
  • Molar Volume: 10.043976200646647
  • Full Formula: Cs2 Zr1 W3 O12
  • Reduced Formula: Cs2Zr(WO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -154.61701069000003
  • Final energy per atom: -8.589833927222223
  • 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.