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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117889
  • 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: ['Sc', 'C', 'Cl']
  • Chemical System: C-Cl-Sc
  • Density: 3.1677361294828645
  • Atomic Density: 0.055189248936928496
  • Unit Cell Volume: 90.59735539641265
  • Molar Volume: 10.911800533618852
  • Full Formula: Sc2 C1 Cl2
  • Reduced Formula: Sc2CCl2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1