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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-32523
  • Created at: Sept. 4, 2022, 3:20 p.m.
  • Last updated at: Sept. 4, 2022, 3:20 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Al', 'Ba', 'Ge']
  • Chemical System: Al-Ba-Ge
  • Density: 4.673062669405962
  • Atomic Density: 0.02867673957898801
  • Unit Cell Volume: 1394.8587108315744
  • Molar Volume: 21.000088742349696
  • Full Formula: Ba20 Al6 Ge14
  • Reduced Formula: Ba10Al3Ge7
  • Formula Anonymous: A3B7C10
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm