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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90220
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ba', 'N', 'O']
  • Chemical System: Ba-N-O
  • Density: 4.036631229771849
  • Atomic Density: 0.056877268931910606
  • Unit Cell Volume: 158.23544570633578
  • Molar Volume: 10.587956969609907
  • Full Formula: Ba2 N1 O6
  • Reduced Formula: Ba2NO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m