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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22439
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Ba', 'Si', 'N']
  • Chemical System: Ba-N-Si
  • Density: 4.519365677491622
  • Atomic Density: 0.07744577129802019
  • Unit Cell Volume: 387.367825217423
  • Molar Volume: 7.775945231181329
  • Full Formula: Ba4 Si10 N16
  • Reduced Formula: Ba2Si5N8
  • Formula Anonymous: A2B5C8
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2