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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1753665
  • Created at: Sept. 4, 2022, 4:02 p.m.
  • Last updated at: Sept. 4, 2022, 4:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Ba', 'F', 'Pr']
  • Chemical System: Ba-F-Pr
  • Density: 6.036447509864781
  • Atomic Density: 0.07001488887488848
  • Unit Cell Volume: 157.10944024571975
  • Molar Volume: 8.601228762586667
  • Full Formula: Ba1 Pr2 F8
  • Reduced Formula: BaPr2F8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m