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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115793
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Ir', 'O']
  • Chemical System: Ca-Ir-O
  • Density: 8.993690545294452
  • Atomic Density: 0.08197130683256484
  • Unit Cell Volume: 48.79756288588185
  • Molar Volume: 7.346644811093309
  • Full Formula: Ca1 Ir1 O2
  • Reduced Formula: CaIrO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m