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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24557
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Zr', 'I', 'O']
  • Chemical System: I-O-Zr
  • Density: 4.966507494934145
  • Atomic Density: 0.06429322534479816
  • Unit Cell Volume: 528.8271014194946
  • Molar Volume: 9.366680124855861
  • Full Formula: Zr2 I8 O24
  • Reduced Formula: Zr(IO3)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m