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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56370
  • 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: 24
  • Number of elements: 3
  • Element list: ['K', 'Cu', 'Cl']
  • Chemical System: Cl-Cu-K
  • Density: 2.6861304245072084
  • Atomic Density: 0.03912007545704936
  • Unit Cell Volume: 613.4957491672028
  • Molar Volume: 15.393990654777282
  • Full Formula: K8 Cu4 Cl12
  • Reduced Formula: K2CuCl3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm