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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8374
  • 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: 7
  • Number of elements: 3
  • Element list: ['Al', 'Fe', 'F']
  • Chemical System: Al-F-Fe
  • Density: 3.507745610266183
  • Atomic Density: 0.08315721893634477
  • Unit Cell Volume: 84.17789927965681
  • Molar Volume: 7.241873690617085
  • Full Formula: Al1 Fe1 F5
  • Reduced Formula: AlFeF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm