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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1733217
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ba', 'N', 'W']
  • Chemical System: Ba-N-W
  • Density: 8.689920403235238
  • Atomic Density: 0.05994829478351403
  • Unit Cell Volume: 133.4483329157183
  • Molar Volume: 10.04555806257246
  • Full Formula: Ba2 W2 N4
  • Reduced Formula: BaWN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm