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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95587
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Al', 'F']
  • Chemical System: Al-F-Li-Na
  • Density: 2.76583833579197
  • Atomic Density: 0.08961336955093825
  • Unit Cell Volume: 892.7239361814891
  • Molar Volume: 6.7201365043827295
  • Full Formula: Na12 Li12 Al8 F48
  • Reduced Formula: Na3Li3Al2F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m