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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71744
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sc', 'Be', 'Cl']
  • Chemical System: Be-Cl-Sc
  • Density: 2.9388254518956214
  • Atomic Density: 0.0566907674108998
  • Unit Cell Volume: 70.55822636881308
  • Molar Volume: 10.622789274223402
  • Full Formula: Sc1 Be1 Cl2
  • Reduced Formula: ScBeCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2