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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1350649
  • 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', 'Mo', 'N', 'W']
  • Chemical System: Ca-Mo-N-W
  • Density: 6.514886418764689
  • Atomic Density: 0.07605508474587841
  • Unit Cell Volume: 1051.8691849112083
  • Molar Volume: 7.918130365802207
  • Full Formula: Ca12 Mo8 W12 N48
  • Reduced Formula: Ca3Mo2(WN4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m