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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102920
  • 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: 5
  • Number of elements: 2
  • Element list: ['Br', 'Cl']
  • Chemical System: Br-Cl
  • Density: 2.5053548045539276
  • Atomic Density: 0.028342355160444362
  • Unit Cell Volume: 176.4144148111652
  • Molar Volume: 21.247848761717314
  • Full Formula: Br2 Cl3
  • Reduced Formula: Br2Cl3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m