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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-36602
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 53
  • Number of elements: 8
  • Element list: ['Al', 'B', 'F', 'Fe', 'H', 'Na', 'O', 'Si']
  • Chemical System: Al-B-F-Fe-H-Na-O-Si
  • Density: 3.3479413778872393
  • Atomic Density: 0.10125168263076692
  • Unit Cell Volume: 523.4480911618462
  • Molar Volume: 5.947694500999905
  • Full Formula: Na1 Al6 Fe3 Si6 B3 H3 O30 F1
  • Reduced Formula: NaAl6Fe3Si6B3H3O30F
  • Formula Anonymous: ABC3D3E3F6G6H30
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m