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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-38012
  • 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: 23
  • Number of elements: 4
  • Element list: ['Ba', 'Si', 'N', 'O']
  • Chemical System: Ba-N-O-Si
  • Density: 4.104435170045593
  • Atomic Density: 0.07101836900047888
  • Unit Cell Volume: 323.85987349054597
  • Molar Volume: 8.479694542068959
  • Full Formula: Ba3 Si6 N2 O12
  • Reduced Formula: Ba3Si6(NO6)2
  • Formula Anonymous: A2B3C6D12
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3