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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-11314
  • 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: ['Ca', 'Fe', 'F']
  • Chemical System: Ca-F-Fe
  • Density: 3.6811607791140633
  • Atomic Density: 0.07736937583385346
  • Unit Cell Volume: 155.10012677069219
  • Molar Volume: 7.783623294224605
  • Full Formula: Ca2 Fe2 F8
  • Reduced Formula: CaFeF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2