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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36961
  • 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', 'Ca', 'Br']
  • Chemical System: Br-Ca-K
  • Density: 3.343636645958975
  • Atomic Density: 0.03157194939296574
  • Unit Cell Volume: 316.73685636364314
  • Molar Volume: 19.074339329017608
  • Full Formula: K2 Ca2 Br6
  • Reduced Formula: KCaBr3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm