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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116526
  • 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: 24
  • Number of elements: 2
  • Element list: ['Ba', 'O']
  • Chemical System: Ba-O
  • Density: 5.172140097722615
  • Atomic Density: 0.055184778178558026
  • Unit Cell Volume: 434.9025363904637
  • Molar Volume: 10.912684545934978
  • Full Formula: Ba8 O16
  • Reduced Formula: BaO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm