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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36962
  • 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: 5
  • Number of elements: 3
  • Element list: ['K', 'Ca', 'Cl']
  • Chemical System: Ca-Cl-K
  • Density: 2.0169801336352755
  • Atomic Density: 0.03273376624036726
  • Unit Cell Volume: 152.7474707091298
  • Molar Volume: 18.397335386887136
  • Full Formula: K1 Ca1 Cl3
  • Reduced Formula: KCaCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m