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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13787
  • 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: 6
  • Number of elements: 3
  • Element list: ['Al', 'Cl', 'O']
  • Chemical System: Al-Cl-O
  • Density: 2.8890434804993834
  • Atomic Density: 0.06654603919382951
  • Unit Cell Volume: 90.16314227994431
  • Molar Volume: 9.0495855695622
  • Full Formula: Al2 Cl2 O2
  • Reduced Formula: AlClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm