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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1348447
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['O', 'Zn', 'Zr']
  • Chemical System: O-Zn-Zr
  • Density: 5.402873808485619
  • Atomic Density: 0.0794349337273604
  • Unit Cell Volume: 327.31191152293513
  • Molar Volume: 7.581224629291467
  • Full Formula: Zr6 Zn4 O16
  • Reduced Formula: Zr3Zn2O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm