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-26759
  • 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: 8
  • Number of elements: 3
  • Element list: ['Tl', 'As', 'F']
  • Chemical System: As-F-Tl
  • Density: 5.359195347558285
  • Atomic Density: 0.06564803022855048
  • Unit Cell Volume: 121.86199604387798
  • Molar Volume: 9.173376168384953
  • Full Formula: Tl1 As1 F6
  • Reduced Formula: TlAsF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3