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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45378
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ba', 'Si', 'O']
  • Chemical System: Ba-O-Si
  • Density: 3.7013353262274573
  • Atomic Density: 0.07927059367207759
  • Unit Cell Volume: 353.2205159939753
  • Molar Volume: 7.596941666555538
  • Full Formula: Ba2 Si8 O18
  • Reduced Formula: BaSi4O9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 188
  • Spacegroup Symbol: P-6c2
  • Crystal System: hexagonal
  • Pointgroup: -6m2