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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10176
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ba', 'Si', 'O']
  • Chemical System: Ba-O-Si
  • Density: 5.626238255396577
  • Atomic Density: 0.05863476068115436
  • Unit Cell Volume: 306.9851363064458
  • Molar Volume: 10.270598344806684
  • Full Formula: Ba6 Si2 O10
  • Reduced Formula: Ba3SiO5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm