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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56864
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'N']
  • Chemical System: Ba-Bi-N
  • Density: 6.116792559486227
  • Atomic Density: 0.029006327881413673
  • Unit Cell Volume: 344.752360274038
  • Molar Volume: 20.761472409124888
  • Full Formula: Ba6 Bi2 N2
  • Reduced Formula: Ba3BiN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm