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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98083
  • 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: 40
  • Number of elements: 4
  • Element list: ['Sb', 'I', 'Cl', 'F']
  • Chemical System: Cl-F-I-Sb
  • Density: 3.6476632444780224
  • Atomic Density: 0.05066587429380191
  • Unit Cell Volume: 789.4860309337108
  • Molar Volume: 11.885990015841301
  • Full Formula: Sb4 I4 Cl8 F24
  • Reduced Formula: SbI(ClF3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm