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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1750031
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ba', 'F', 'O', 'Yb']
  • Chemical System: Ba-F-O-Yb
  • Density: 6.93926102173346
  • Atomic Density: 0.056835008213709785
  • Unit Cell Volume: 246.32705158337444
  • Molar Volume: 10.59582984022044
  • Full Formula: Ba4 Yb2 O6 F2
  • Reduced Formula: Ba2YbO3F
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm