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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26861
  • 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: 11
  • Number of elements: 3
  • Element list: ['Ba', 'Nb', 'O']
  • Chemical System: Ba-Nb-O
  • Density: 6.73629186528865
  • Atomic Density: 0.07376422394464857
  • Unit Cell Volume: 149.12378130967954
  • Molar Volume: 8.164040015548611
  • Full Formula: Ba1 Nb4 O6
  • Reduced Formula: BaNb4O6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm