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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29267
  • 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: 14
  • Number of elements: 3
  • Element list: ['Sc', 'C', 'Cl']
  • Chemical System: C-Cl-Sc
  • Density: 2.982784317906398
  • Atomic Density: 0.04832274549030353
  • Unit Cell Volume: 289.7186378371082
  • Molar Volume: 12.462331556075197
  • Full Formula: Sc5 C1 Cl8
  • Reduced Formula: Sc5CCl8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m