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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8235
  • 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: 4
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'O']
  • Chemical System: Al-Cu-O
  • Density: 4.986880584102925
  • Atomic Density: 0.09804160373778491
  • Unit Cell Volume: 40.79900621269023
  • Molar Volume: 6.142433957023377
  • Full Formula: Al1 Cu1 O2
  • Reduced Formula: AlCuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m