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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5797
  • 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: ['Ca', 'Cr', 'O']
  • Chemical System: Ca-Cr-O
  • Density: 3.210200298526129
  • Atomic Density: 0.07432075669912941
  • Unit Cell Volume: 161.46229576993215
  • Molar Volume: 8.1029056046607
  • Full Formula: Ca2 Cr2 O8
  • Reduced Formula: CaCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm