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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-552167
  • Created at: Sept. 4, 2022, 3:14 p.m.
  • Last updated at: Sept. 4, 2022, 3:14 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Tc', 'Zn', 'Zr']
  • Chemical System: Tc-Zn-Zr
  • Density: 9.148058235986284
  • Atomic Density: 0.062490911964365146
  • Unit Cell Volume: 64.00930750188063
  • Molar Volume: 9.636826493161228
  • Full Formula: Zr1 Zn1 Tc2
  • Reduced Formula: ZrZnTc2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m