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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1744753
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Cr', 'Fe', 'H']
  • Chemical System: Ba-Cr-Fe-H
  • Density: 4.4924142831337335
  • Atomic Density: 0.10636236253226977
  • Unit Cell Volume: 112.8218639968557
  • Molar Volume: 5.661909548288676
  • Full Formula: Ba1 Cr2 Fe1 H8
  • Reduced Formula: BaCr2FeH8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1