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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1258522
  • Created at: Sept. 4, 2022, 3:41 p.m.
  • Last updated at: Sept. 4, 2022, 3:41 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['As', 'O', 'Zr']
  • Chemical System: As-O-Zr
  • Density: 6.838561051631544
  • Atomic Density: 0.05431665246150829
  • Unit Cell Volume: 257.7478427986915
  • Molar Volume: 11.087098499429091
  • Full Formula: Zr8 As4 O2
  • Reduced Formula: Zr4As2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm