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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1364772
  • Created at: Sept. 4, 2022, 3:49 p.m.
  • Last updated at: Sept. 4, 2022, 3:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Si', 'Zr']
  • Chemical System: Si-Zr
  • Density: 5.8352808921545645
  • Atomic Density: 0.05326910517858057
  • Unit Cell Volume: 187.72607436291204
  • Molar Volume: 11.305128441356835
  • Full Formula: Zr6 Si4
  • Reduced Formula: Zr3Si2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm