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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96987
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['K', 'Cd', 'Cl']
  • Chemical System: Cd-Cl-K
  • Density: 3.351721330365504
  • Atomic Density: 0.03913729924680714
  • Unit Cell Volume: 511.02146507034774
  • Molar Volume: 15.387215970175287
  • Full Formula: K4 Cd4 Cl12
  • Reduced Formula: KCdCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm