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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85757
  • 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: 18
  • Number of elements: 3
  • Element list: ['As', 'I', 'F']
  • Chemical System: As-F-I
  • Density: 3.854487222334471
  • Atomic Density: 0.047187822764111716
  • Unit Cell Volume: 381.45434448163905
  • Molar Volume: 12.762065311010888
  • Full Formula: As2 I4 F12
  • Reduced Formula: As(IF3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m