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-34723
  • 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: 16
  • Number of elements: 3
  • Element list: ['K', 'Bi', 'F']
  • Chemical System: Bi-F-K
  • Density: 4.197864040359555
  • Atomic Density: 0.055857021348809544
  • Unit Cell Volume: 286.44563590466146
  • Molar Volume: 10.781349621909884
  • Full Formula: K2 Bi2 F12
  • Reduced Formula: KBiF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm