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-9539
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zn', 'Fe', 'F']
  • Chemical System: F-Fe-Zn
  • Density: 4.7782551139503715
  • Atomic Density: 0.08753056470960681
  • Unit Cell Volume: 137.094968366895
  • Molar Volume: 6.880043308276574
  • Full Formula: Zn2 Fe2 F8
  • Reduced Formula: ZnFeF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m