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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9995
  • 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: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'B', 'O']
  • Chemical System: B-Ba-Na-O
  • Density: 4.418216895035157
  • Atomic Density: 0.07285432433243373
  • Unit Cell Volume: 164.71225435080683
  • Molar Volume: 8.266003171645679
  • Full Formula: Ba2 Na2 B2 O6
  • Reduced Formula: BaNaBO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m