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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-688798
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['As', 'H', 'Na', 'O', 'Zn']
  • Chemical System: As-H-Na-O-Zn
  • Density: 3.3237052370590088
  • Atomic Density: 0.09417004957344118
  • Unit Cell Volume: 870.7651782220842
  • Molar Volume: 6.394963990438875
  • Full Formula: Na6 Zn8 As6 H24 O38
  • Reduced Formula: Na3Zn4As3H12O19
  • Formula Anonymous: A3B3C4D12E19
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m