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-96770
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Ir']
  • Chemical System: Ca-Ir-Si
  • Density: 8.016127696564991
  • Atomic Density: 0.04899193216988818
  • Unit Cell Volume: 204.11524014450447
  • Molar Volume: 12.292107074114085
  • Full Formula: Ca4 Si2 Ir4
  • Reduced Formula: Ca2SiIr2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m