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-21974
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Rb', 'Th', 'F']
  • Chemical System: F-Rb-Th
  • Density: 5.508029596995122
  • Atomic Density: 0.05774698436597339
  • Unit Cell Volume: 155.85229425942327
  • Molar Volume: 10.428493931102077
  • Full Formula: Rb2 Th1 F6
  • Reduced Formula: Rb2ThF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m