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  1. Third-Parties
  2. MatprojStructure
  3. mp-735824

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-735824
  • 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: 100
  • Number of elements: 6
  • Element list: ['K', 'Li', 'Al', 'Si', 'O', 'F']
  • Chemical System: Al-F-K-Li-O-Si
  • Density: 2.4219914422834052
  • Atomic Density: 0.07474134517006525
  • Unit Cell Volume: 1337.9475546293902
  • Molar Volume: 8.057308503475976
  • Full Formula: K5 Li10 Al5 Si20 O50 F10
  • Reduced Formula: KLi2AlSi4(O5F)2
  • Formula Anonymous: ABC2D2E4F10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -650.37845619
  • Final energy per atom: -6.5037845619
  • 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.