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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1555107
  • Created at: Sept. 4, 2022, 3:57 p.m.
  • Last updated at: Sept. 4, 2022, 3:57 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'N', 'Se']
  • Chemical System: Ba-N-Se
  • Density: 5.9470606342500725
  • Atomic Density: 0.054313876776676304
  • Unit Cell Volume: 110.46900637695863
  • Molar Volume: 11.087665100323042
  • Full Formula: Ba2 Se1 N3
  • Reduced Formula: Ba2SeN3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1