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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5197
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cr', 'O', 'Y']
  • Chemical System: Cr-O-Y
  • Density: 4.295544100610145
  • Atomic Density: 0.0757494232376834
  • Unit Cell Volume: 158.41704777535926
  • Molar Volume: 7.950081337390486
  • Full Formula: Y2 Cr2 O8
  • Reduced Formula: YCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm