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-95400
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Ir', 'O']
  • Chemical System: Ca-Cu-Ir-O
  • Density: 5.716864971827528
  • Atomic Density: 0.08023532137519705
  • Unit Cell Volume: 274.1934552380419
  • Molar Volume: 7.505598104155672
  • Full Formula: Ca6 Cu2 Ir2 O12
  • Reduced Formula: Ca3CuIrO6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m