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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1338845
  • Created at: Sept. 4, 2022, 3:45 p.m.
  • Last updated at: Sept. 4, 2022, 3:45 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['Be', 'Zr']
  • Chemical System: Be-Zr
  • Density: 4.006705080079287
  • Atomic Density: 0.08844441908897728
  • Unit Cell Volume: 407.03529256925873
  • Molar Volume: 6.8089550726107175
  • Full Formula: Zr8 Be28
  • Reduced Formula: Zr2Be7
  • Formula Anonymous: A2B7
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm