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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116536
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Sb', 'O']
  • Chemical System: Ba-Na-O-Sb
  • Density: 5.8070794929995175
  • Atomic Density: 0.05893450885185981
  • Unit Cell Volume: 373.2957214473459
  • Molar Volume: 10.218360816643944
  • Full Formula: Ba6 Na2 Sb2 O12
  • Reduced Formula: Ba3NaSbO6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m