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-21503
  • 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: 11
  • Number of elements: 3
  • Element list: ['Ba', 'Tm', 'F']
  • Chemical System: Ba-F-Tm
  • Density: 6.912286754186604
  • Atomic Density: 0.0730081428830572
  • Unit Cell Volume: 150.66812502845818
  • Molar Volume: 8.248587790605947
  • Full Formula: Ba1 Tm2 F8
  • Reduced Formula: BaTm2F8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m