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-118212
  • 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: 4
  • Number of elements: 2
  • Element list: ['Cu', 'F']
  • Chemical System: Cu-F
  • Density: 4.385986993006607
  • Atomic Density: 0.08764813673329092
  • Unit Cell Volume: 45.637022634854276
  • Molar Volume: 6.870814354359964
  • Full Formula: Cu1 F3
  • Reduced Formula: CuF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1