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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54542
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'O']
  • Chemical System: Al-Ba-O
  • Density: 3.9681230560522662
  • Atomic Density: 0.06552457645756037
  • Unit Cell Volume: 213.66028987715265
  • Molar Volume: 9.190659574732972
  • Full Formula: Ba2 Al4 O8
  • Reduced Formula: BaAl2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622