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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1018627
  • 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: ['Co', 'Tc', 'Zr']
  • Chemical System: Co-Tc-Zr
  • Density: 8.275290060143202
  • Atomic Density: 0.0587362674460889
  • Unit Cell Volume: 272.4040987910171
  • Molar Volume: 10.252848915752816
  • Full Formula: Zr8 Co4 Tc4
  • Reduced Formula: Zr2CoTc
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm