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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58166
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ti', 'Zn', 'Ir', 'O']
  • Chemical System: Ir-O-Ti-Zn
  • Density: 7.455560216247226
  • Atomic Density: 0.09616317614798586
  • Unit Cell Volume: 207.979819314848
  • Molar Volume: 6.262418735766906
  • Full Formula: Ti2 Zn4 Ir2 O12
  • Reduced Formula: TiZn2IrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m