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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10568
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ba', 'B', 'As', 'O']
  • Chemical System: As-B-Ba-O
  • Density: 4.862225448958202
  • Atomic Density: 0.042925230600620146
  • Unit Cell Volume: 372.7411542378259
  • Molar Volume: 14.029373111656614
  • Full Formula: Ba6 B2 As2 O6
  • Reduced Formula: Ba3BAsO3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm