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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36877
  • 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: ['Ca', 'Tl', 'Cl']
  • Chemical System: Ca-Cl-Tl
  • Density: 3.789517183696325
  • Atomic Density: 0.03252520720799865
  • Unit Cell Volume: 153.72692226140197
  • Molar Volume: 18.515303289194804
  • Full Formula: Ca1 Tl1 Cl3
  • Reduced Formula: CaTlCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m