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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34769
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ba', 'Cl']
  • Chemical System: Ba-Cl
  • Density: 3.906475489124365
  • Atomic Density: 0.03389281998404666
  • Unit Cell Volume: 354.05729017675117
  • Molar Volume: 17.76819032123801
  • Full Formula: Ba4 Cl8
  • Reduced Formula: BaCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm