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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-39826
  • 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: 72
  • Number of elements: 3
  • Element list: ['As', 'Ba', 'Ge']
  • Chemical System: As-Ba-Ge
  • Density: 4.910722616594269
  • Atomic Density: 0.028878866236546095
  • Unit Cell Volume: 2493.172668561492
  • Molar Volume: 20.85310659591963
  • Full Formula: Ba32 Ge8 As32
  • Reduced Formula: Ba4GeAs4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m