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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58135
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Ti', 'Zn', 'O']
  • Chemical System: Ba-O-Ti-Zn
  • Density: 4.600184498377133
  • Atomic Density: 0.07427078021773856
  • Unit Cell Volume: 188.49943354514932
  • Molar Volume: 8.108358014208248
  • Full Formula: Ba1 Ti4 Zn1 O8
  • Reduced Formula: BaTi4ZnO8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m