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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13789
  • 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: 16
  • Number of elements: 3
  • Element list: ['Al', 'I', 'Cl']
  • Chemical System: Al-Cl-I
  • Density: 2.657110807026704
  • Atomic Density: 0.034918320422013586
  • Unit Cell Volume: 458.2121879468494
  • Molar Volume: 17.24636433602189
  • Full Formula: Al2 I2 Cl12
  • Reduced Formula: AlICl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2