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-57703
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['K', 'Al', 'F']
  • Chemical System: Al-F-K
  • Density: 2.9754988887706415
  • Atomic Density: 0.07567440490402318
  • Unit Cell Volume: 158.574091401438
  • Molar Volume: 7.957962494238044
  • Full Formula: K2 Al2 F8
  • Reduced Formula: KAlF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm