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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1350696
  • 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: ['Ca', 'N', 'Re', 'W']
  • Chemical System: Ca-N-Re-W
  • Density: 7.67637285319018
  • Atomic Density: 0.07626852361963035
  • Unit Cell Volume: 1048.9255095454505
  • Molar Volume: 7.895971331546783
  • Full Formula: Ca12 Re8 W12 N48
  • Reduced Formula: Ca3Re2(WN4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m