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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91398
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Ba', 'Ni', 'As']
  • Chemical System: As-Ba-Ni
  • Density: 7.6209975237352605
  • Atomic Density: 0.06618313268750788
  • Unit Cell Volume: 453.2877000798502
  • Molar Volume: 9.099207782191737
  • Full Formula: Ba2 Ni18 As10
  • Reduced Formula: BaNi9As5
  • Formula Anonymous: AB5C9
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm