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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62567
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'B', 'O']
  • Chemical System: B-Ba-Na-O
  • Density: 2.631623152809624
  • Atomic Density: 0.08280597390776179
  • Unit Cell Volume: 627.974016197469
  • Molar Volume: 7.272592152237843
  • Full Formula: Ba2 Na2 B18 O30
  • Reduced Formula: BaNa(B3O5)3
  • Formula Anonymous: ABC9D15
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m