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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55638
  • 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: 24
  • Number of elements: 2
  • Element list: ['B', 'Cl']
  • Chemical System: B-Cl
  • Density: 1.9755206479086964
  • Atomic Density: 0.04367584500203337
  • Unit Cell Volume: 549.5028201259222
  • Molar Volume: 13.788263878396934
  • Full Formula: B8 Cl16
  • Reduced Formula: BCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm