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-44301
  • 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: 28
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'O', 'F']
  • Chemical System: Co-F-Li-O
  • Density: 3.475786937489268
  • Atomic Density: 0.10048826810919588
  • Unit Cell Volume: 278.6394922198651
  • Molar Volume: 5.9928794408676875
  • Full Formula: Li8 Co4 O4 F12
  • Reduced Formula: Li2CoOF3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4