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-105096
  • 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: 7
  • Number of elements: 3
  • Element list: ['Li', 'Cr', 'O']
  • Chemical System: Cr-Li-O
  • Density: 4.151387432085219
  • Atomic Density: 0.10004051677443981
  • Unit Cell Volume: 69.9716497445012
  • Molar Volume: 6.01970177101149
  • Full Formula: Li1 Cr2 O4
  • Reduced Formula: LiCr2O4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m