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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31193
  • 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: 18
  • Number of elements: 3
  • Element list: ['Mg', 'I', 'O']
  • Chemical System: I-Mg-O
  • Density: 4.712374318522736
  • Atomic Density: 0.06827056243028198
  • Unit Cell Volume: 263.6568289353355
  • Molar Volume: 8.820991867687953
  • Full Formula: Mg2 I4 O12
  • Reduced Formula: Mg(IO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2