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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11789
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Ni', 'O']
  • Chemical System: Ba-Ni-O
  • Density: 5.991966235767287
  • Atomic Density: 0.07393793775029438
  • Unit Cell Volume: 135.24856527338275
  • Molar Volume: 8.144858976643588
  • Full Formula: Ba2 Ni2 O6
  • Reduced Formula: BaNiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm