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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112467
  • 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: 12
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'F']
  • Chemical System: Al-F-Na
  • Density: 2.8964390851492903
  • Atomic Density: 0.08308391154648803
  • Unit Cell Volume: 144.43229473236377
  • Molar Volume: 7.248263409734177
  • Full Formula: Na2 Al2 F8
  • Reduced Formula: NaAlF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm