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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21541
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Si']
  • Chemical System: Ba-Mg-Si
  • Density: 2.9865939954286413
  • Atomic Density: 0.04347763567624562
  • Unit Cell Volume: 828.0119063527851
  • Molar Volume: 13.851122919478916
  • Full Formula: Ba5 Mg18 Si13
  • Reduced Formula: Ba5Mg18Si13
  • Formula Anonymous: A5B13C18
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m