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-49976
  • 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: 10
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'O']
  • Chemical System: Li-O-Ti
  • Density: 3.918859800659672
  • Atomic Density: 0.09572515010413679
  • Unit Cell Volume: 104.4657541839451
  • Molar Volume: 6.291074762952762
  • Full Formula: Li1 Ti3 O6
  • Reduced Formula: LiTi3O6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m