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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88649
  • 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: 26
  • Number of elements: 4
  • Element list: ['As', 'S', 'Cl', 'F']
  • Chemical System: As-Cl-F-S
  • Density: 2.6368989344626836
  • Atomic Density: 0.052734358830220554
  • Unit Cell Volume: 493.0371882155158
  • Molar Volume: 11.41976672057096
  • Full Formula: As2 S6 Cl6 F12
  • Reduced Formula: AsS3(ClF2)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1