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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97420
  • 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: 36
  • Number of elements: 5
  • Element list: ['As', 'C', 'S', 'N', 'F']
  • Chemical System: As-C-F-N-S
  • Density: 2.802833756832533
  • Atomic Density: 0.07231762405795905
  • Unit Cell Volume: 497.803965063174
  • Molar Volume: 8.327348745823768
  • Full Formula: As2 C2 S6 N4 F22
  • Reduced Formula: AsCS3N2F11
  • Formula Anonymous: ABC2D3E11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1