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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1483731
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ga', 'Ta', 'Zr']
  • Chemical System: Ga-Ta-Zr
  • Density: 9.267262046911105
  • Atomic Density: 0.05285315773457351
  • Unit Cell Volume: 302.7255264548501
  • Molar Volume: 11.394098324726318
  • Full Formula: Zr6 Ta4 Ga6
  • Reduced Formula: Zr3Ta2Ga3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm