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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55672
  • 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: 20
  • Number of elements: 3
  • Element list: ['Nb', 'Se', 'Br']
  • Chemical System: Br-Nb-Se
  • Density: 4.772921156650841
  • Atomic Density: 0.0349182615613415
  • Unit Cell Volume: 572.7662004268358
  • Molar Volume: 17.246393407703888
  • Full Formula: Nb4 Se4 Br12
  • Reduced Formula: NbSeBr3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m