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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-60631
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Sc', 'H', 'Cl']
  • Chemical System: Cl-H-Sc
  • Density: 2.9175656671594963
  • Atomic Density: 0.06474086395620997
  • Unit Cell Volume: 92.67716915329298
  • Molar Volume: 9.301915964657672
  • Full Formula: Sc2 H2 Cl2
  • Reduced Formula: ScHCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m