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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23332
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ba', 'Nb', 'O']
  • Chemical System: Ba-Nb-O
  • Density: 6.633345638481183
  • Atomic Density: 0.0723692448526127
  • Unit Cell Volume: 221.08839234934152
  • Molar Volume: 8.321408869561512
  • Full Formula: Ba2 Nb5 O9
  • Reduced Formula: Ba2Nb5O9
  • Formula Anonymous: A2B5C9
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm