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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26354
  • 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: 8
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'S', 'O']
  • Chemical System: Ba-O-S-Zn
  • Density: 5.239866088372276
  • Atomic Density: 0.050327210257452945
  • Unit Cell Volume: 158.95973488447598
  • Molar Volume: 11.965973733082459
  • Full Formula: Ba2 Zn2 S2 O2
  • Reduced Formula: BaZnSO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm