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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23694
  • 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: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Ir', 'O']
  • Chemical System: Ba-Ir-Na-O
  • Density: 7.259820277966343
  • Atomic Density: 0.06807092834303743
  • Unit Cell Volume: 440.71677484428665
  • Molar Volume: 8.846861511351738
  • Full Formula: Ba6 Na2 Ir4 O18
  • Reduced Formula: Ba3NaIr2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm