Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21188
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'Ir', 'O']
  • Chemical System: Ca-Fe-Ir-O
  • Density: 6.3741466025327895
  • Atomic Density: 0.09048728208800459
  • Unit Cell Volume: 221.02553572720572
  • Molar Volume: 6.655234438518209
  • Full Formula: Ca4 Fe2 Ir2 O12
  • Reduced Formula: Ca2FeIrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m