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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51016
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ba', 'H', 'O']
  • Chemical System: Ba-H-O
  • Density: 3.795275432689928
  • Atomic Density: 0.09656125821423026
  • Unit Cell Volume: 165.69792374186437
  • Molar Volume: 6.236601377582832
  • Full Formula: Ba2 H8 O6
  • Reduced Formula: BaH4O3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2