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  1. Third-Parties
  2. MatprojStructure
  3. mp-556996

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-556996
  • 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: 30
  • Number of elements: 4
  • Element list: ['K', 'Li', 'Al', 'F']
  • Chemical System: Al-F-K-Li
  • Density: 2.8793897385162643
  • Atomic Density: 0.07668888694026231
  • Unit Cell Volume: 391.19096908224583
  • Molar Volume: 7.85269026618031
  • Full Formula: K6 Li3 Al3 F18
  • Reduced Formula: K2LiAlF6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -162.13369612
  • Final energy per atom: -5.404456537333333
  • 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.