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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12518
  • 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: 16
  • Number of elements: 3
  • Element list: ['Hg', 'Br', 'N']
  • Chemical System: Br-Hg-N
  • Density: 7.3512672059043815
  • Atomic Density: 0.03576747928702921
  • Unit Cell Volume: 447.3337321761523
  • Molar Volume: 16.836916886630814
  • Full Formula: Hg8 Br4 N4
  • Reduced Formula: Hg2BrN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm