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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85423
  • 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: ['Zr', 'In', 'Br']
  • Chemical System: Br-In-Zr
  • Density: 4.59678533864943
  • Atomic Density: 0.031131747637308572
  • Unit Cell Volume: 578.1879067537036
  • Molar Volume: 19.34404977889199
  • Full Formula: Zr2 In4 Br12
  • Reduced Formula: Zr(InBr3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm