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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35116
  • 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: 28
  • Number of elements: 5
  • Element list: ['Ba', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-Ba-N-O-Si
  • Density: 3.4844403791138303
  • Atomic Density: 0.07426557636783046
  • Unit Cell Volume: 377.02528371043155
  • Molar Volume: 8.108926173511263
  • Full Formula: Ba2 Al4 Si6 N8 O8
  • Reduced Formula: BaAl2Si3(NO)4
  • Formula Anonymous: AB2C3D4E4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2