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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-24719
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Fe', 'Si', 'Zr']
  • Chemical System: Fe-Si-Zr
  • Density: 6.070479435545895
  • Atomic Density: 0.06986584795564668
  • Unit Cell Volume: 429.3943447025085
  • Molar Volume: 8.619577284488221
  • Full Formula: Zr8 Fe8 Si14
  • Reduced Formula: Zr4Fe4Si7
  • Formula Anonymous: A4B4C7
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm