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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12764
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ba', 'Br']
  • Chemical System: Ba-Br
  • Density: 4.813465187015887
  • Atomic Density: 0.029266863455587676
  • Unit Cell Volume: 410.0200220706924
  • Molar Volume: 20.576652394400135
  • Full Formula: Ba4 Br8
  • Reduced Formula: BaBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm