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-76997
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'Ir']
  • Chemical System: Ir-Li-Ti
  • Density: 7.349651790351766
  • Atomic Density: 0.060036403339229105
  • Unit Cell Volume: 66.62624303788552
  • Molar Volume: 10.030815347102916
  • Full Formula: Li1 Ti2 Ir1
  • Reduced Formula: LiTi2Ir
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm