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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87859
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ba', 'Al', 'Si', 'O']
  • Chemical System: Al-Ba-O-Si
  • Density: 4.8828532334835755
  • Atomic Density: 0.07923872779235858
  • Unit Cell Volume: 1009.6073249640795
  • Molar Volume: 7.599996779075935
  • Full Formula: Ba12 Al8 Si12 O48
  • Reduced Formula: Ba3Al2(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m