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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-17345
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'O']
  • Chemical System: Al-Cu-O
  • Density: 4.545432220187598
  • Atomic Density: 0.09880197330515672
  • Unit Cell Volume: 50.60627670418236
  • Molar Volume: 6.095162433041902
  • Full Formula: Al1 Cu1 O3
  • Reduced Formula: AlCuO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m