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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91446
  • 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', 'Ni', 'F']
  • Chemical System: Ba-F-Ni
  • Density: 5.4488497593046255
  • Atomic Density: 0.06601804039413056
  • Unit Cell Volume: 136.32637300758415
  • Molar Volume: 9.121962306132627
  • Full Formula: Ba2 Ni1 F6
  • Reduced Formula: Ba2NiF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm