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-117720
  • 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: 3
  • Number of elements: 3
  • Element list: ['Na', 'Bi', 'F']
  • Chemical System: Bi-F-Na
  • Density: 6.147207342141568
  • Atomic Density: 0.04425177329048866
  • Unit Cell Volume: 67.79389337251284
  • Molar Volume: 13.60881228525678
  • Full Formula: Na1 Bi1 F1
  • Reduced Formula: NaBiF
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2