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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57257
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ba', 'Ni', 'O']
  • Chemical System: Ba-Ni-O
  • Density: 6.064011988444877
  • Atomic Density: 0.06994715550171833
  • Unit Cell Volume: 371.70918264662356
  • Molar Volume: 8.60955776800968
  • Full Formula: Ba6 Ni5 O15
  • Reduced Formula: Ba6(NiO3)5
  • Formula Anonymous: A5B6C15
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32