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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1350717
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Mo', 'N', 'Ta', 'Zr']
  • Chemical System: Mo-N-Ta-Zr
  • Density: 7.984189842010197
  • Atomic Density: 0.08173887689164269
  • Unit Cell Volume: 978.7264401253293
  • Molar Volume: 7.367535484960555
  • Full Formula: Zr12 Ta12 Mo8 N48
  • Reduced Formula: Zr3Ta3(MoN6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m