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-116921
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Ge', 'Ir']
  • Chemical System: Ge-Ir-Ti
  • Density: 11.263433715272521
  • Atomic Density: 0.06507014168826966
  • Unit Cell Volume: 276.62457054776786
  • Molar Volume: 9.254845008406713
  • Full Formula: Ti6 Ge6 Ir6
  • Reduced Formula: TiGeIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2