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-30581
  • 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: 15
  • Number of elements: 3
  • Element list: ['Zn', 'Cr', 'F']
  • Chemical System: Cr-F-Zn
  • Density: 3.5879619045092177
  • Atomic Density: 0.08156085158606093
  • Unit Cell Volume: 183.9117629144956
  • Molar Volume: 7.3836168246056015
  • Full Formula: Zn1 Cr2 F12
  • Reduced Formula: ZnCr2F12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1