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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12533
  • 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: 10
  • Number of elements: 3
  • Element list: ['Rb', 'Ni', 'Cl']
  • Chemical System: Cl-Ni-Rb
  • Density: 3.440912062061013
  • Atomic Density: 0.041357257394162704
  • Unit Cell Volume: 241.79553070198102
  • Molar Volume: 14.561267210262313
  • Full Formula: Rb2 Ni2 Cl6
  • Reduced Formula: RbNiCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm