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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88465
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['As', 'S', 'N', 'F']
  • Chemical System: As-F-N-S
  • Density: 2.7624635366069303
  • Atomic Density: 0.06375544965122495
  • Unit Cell Volume: 376.4384085014273
  • Molar Volume: 9.4456878477749
  • Full Formula: As2 S6 N4 F12
  • Reduced Formula: AsS3(NF3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1