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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55661
  • 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: 22
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Cl']
  • Chemical System: Al-Cl-Cu
  • Density: 2.357589954175605
  • Atomic Density: 0.03893349441202668
  • Unit Cell Volume: 565.0661553051896
  • Molar Volume: 15.467763299817602
  • Full Formula: Al4 Cu2 Cl16
  • Reduced Formula: Al2CuCl8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m