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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8403
  • 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: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Ti', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Ti-Y
  • Density: 5.733675802475653
  • Atomic Density: 0.07440831918942738
  • Unit Cell Volume: 120.95421719025744
  • Molar Volume: 8.093370238170467
  • Full Formula: Ba1 Y1 Ti1 Cu1 O5
  • Reduced Formula: BaYTiCuO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm