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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71568
  • 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: 3
  • Number of elements: 3
  • Element list: ['Hf', 'Be', 'Cl']
  • Chemical System: Be-Cl-Hf
  • Density: 6.2151432549508465
  • Atomic Density: 0.05036232017851871
  • Unit Cell Volume: 59.568343741232255
  • Molar Volume: 11.957631694992187
  • Full Formula: Hf1 Be1 Cl1
  • Reduced Formula: HfBeCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1