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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224236

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-1224236
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['K', 'W', 'O', 'F']
  • Chemical System: F-K-O-W
  • Density: 4.023750234873596
  • Atomic Density: 0.05482566883628906
  • Unit Cell Volume: 547.1889470164207
  • Molar Volume: 10.984162870830223
  • Full Formula: K6 W4 O8 F12
  • Reduced Formula: K3W2(O2F3)2
  • Formula Anonymous: A2B3C4D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -201.36314973
  • Final energy per atom: -6.712104991
  • 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.