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  1. Third-Parties
  2. MatprojStructure
  3. mp-555219

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-555219
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cu', 'W', 'O', 'F']
  • Chemical System: Cu-F-O-W
  • Density: 5.861185219735638
  • Atomic Density: 0.07411285353332048
  • Unit Cell Volume: 188.90110598299557
  • Molar Volume: 8.125636071066268
  • Full Formula: Cu2 W2 O6 F4
  • Reduced Formula: CuWO3F2
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -99.96400093
  • Final energy per atom: -7.140285780714286
  • 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.