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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-79613
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Zr', 'Br']
  • Chemical System: Br-Zr
  • Density: 5.708667071919115
  • Atomic Density: 0.0401785758858333
  • Unit Cell Volume: 99.55554451123227
  • Molar Volume: 14.988437562127153
  • Full Formula: Zr2 Br2
  • Reduced Formula: ZrBr
  • Formula Anonymous: AB
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1