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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108115
  • 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: 10
  • Number of elements: 3
  • Element list: ['K', 'Br', 'Cl']
  • Chemical System: Br-Cl-K
  • Density: 2.65490338316783
  • Atomic Density: 0.029039863708279233
  • Unit Cell Volume: 344.3542332173209
  • Molar Volume: 20.73749663736574
  • Full Formula: K5 Br4 Cl1
  • Reduced Formula: K5Br4Cl
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m