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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8405
  • 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: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Ti', 'Al', 'Cu', 'O']
  • Chemical System: Al-Ba-Cu-O-Ti
  • Density: 5.060058775065382
  • Atomic Density: 0.07709788670278418
  • Unit Cell Volume: 116.73471718745553
  • Molar Volume: 7.81103220535165
  • Full Formula: Ba1 Ti1 Al1 Cu1 O5
  • Reduced Formula: BaTiAlCuO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm