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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118083
  • 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: 4
  • Number of elements: 3
  • Element list: ['S', 'N', 'Cl']
  • Chemical System: Cl-N-S
  • Density: 2.1638107502451858
  • Atomic Density: 0.04455814371621555
  • Unit Cell Volume: 89.770346482013
  • Molar Volume: 13.515241564716328
  • Full Formula: S1 N1 Cl2
  • Reduced Formula: SNCl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm