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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97013
  • 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: 40
  • Number of elements: 5
  • Element list: ['Li', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-H-Li-O-Si
  • Density: 2.2380974560215425
  • Atomic Density: 0.09358458514524011
  • Unit Cell Volume: 427.4208186948882
  • Molar Volume: 6.4349708348376415
  • Full Formula: Li4 Al4 Si4 H8 O20
  • Reduced Formula: LiAlSiH2O5
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2