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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58994
  • 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: 24
  • Number of elements: 3
  • Element list: ['Sb', 'Cl', 'F']
  • Chemical System: Cl-F-Sb
  • Density: 3.0487565935308907
  • Atomic Density: 0.0413956050276147
  • Unit Cell Volume: 579.7716927676206
  • Molar Volume: 14.547778093792022
  • Full Formula: Sb4 Cl12 F8
  • Reduced Formula: SbCl3F2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4