Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-22176
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['K', 'Li', 'Al', 'F']
  • Chemical System: Al-F-K-Li
  • Density: 2.977536110775378
  • Atomic Density: 0.07930289085404109
  • Unit Cell Volume: 252.197615807102
  • Molar Volume: 7.593847708633847
  • Full Formula: K4 Li2 Al2 F12
  • Reduced Formula: K2LiAlF6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m