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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-43448
  • 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: 20
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'O']
  • Chemical System: Al-Cu-O
  • Density: 4.683408984237602
  • Atomic Density: 0.10180111087844511
  • Unit Cell Volume: 196.4615103648609
  • Molar Volume: 5.915594346696957
  • Full Formula: Al4 Cu4 O12
  • Reduced Formula: AlCuO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m