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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1018659
  • Created at: Sept. 4, 2022, 3:28 p.m.
  • Last updated at: Sept. 4, 2022, 3:28 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ir', 'Tc', 'Zr']
  • Chemical System: Ir-Tc-Zr
  • Density: 10.688678892356618
  • Atomic Density: 0.05447302326210479
  • Unit Cell Volume: 293.7233706125268
  • Molar Volume: 11.055271764564274
  • Full Formula: Zr8 Tc4 Ir4
  • Reduced Formula: Zr2TcIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm