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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118091
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sc', 'N', 'Cl']
  • Chemical System: Cl-N-Sc
  • Density: 2.7863707823958213
  • Atomic Density: 0.05331718995881024
  • Unit Cell Volume: 112.53406274102689
  • Molar Volume: 11.294932768685587
  • Full Formula: Sc2 N2 Cl2
  • Reduced Formula: ScNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm