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-16784
  • 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: 2
  • Number of elements: 2
  • Element list: ['Ti', 'Ir']
  • Chemical System: Ir-Ti
  • Density: 13.13953440353365
  • Atomic Density: 0.06591703381007254
  • Unit Cell Volume: 30.34117108125074
  • Molar Volume: 9.135940153726667
  • Full Formula: Ti1 Ir1
  • Reduced Formula: TiIr
  • Formula Anonymous: AB
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m