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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29722
  • 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: 24
  • Number of elements: 2
  • Element list: ['Fe', 'Cl']
  • Chemical System: Cl-Fe
  • Density: 3.3150099290400723
  • Atomic Density: 0.049230491036906306
  • Unit Cell Volume: 487.50275478682664
  • Molar Volume: 12.232542542558475
  • Full Formula: Fe6 Cl18
  • Reduced Formula: FeCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312