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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59755
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Y
  • Density: 5.945152285220087
  • Atomic Density: 0.06607725721401618
  • Unit Cell Volume: 181.60560086707991
  • Molar Volume: 9.113787426882778
  • Full Formula: Ba2 Y1 Cu3 O6
  • Reduced Formula: Ba2Y(CuO2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm