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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117679
  • 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: 3
  • Number of elements: 2
  • Element list: ['Be', 'Cl']
  • Chemical System: Be-Cl
  • Density: 1.8765799384636455
  • Atomic Density: 0.04242224331651691
  • Unit Cell Volume: 70.7176180575053
  • Molar Volume: 14.19571500514049
  • Full Formula: Be1 Cl2
  • Reduced Formula: BeCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm