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-9695
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Li', 'Re', 'O']
  • Chemical System: Li-O-Re
  • Density: 5.04680690049055
  • Atomic Density: 0.11508403647412224
  • Unit Cell Volume: 104.27162939056552
  • Molar Volume: 5.2328202455378205
  • Full Formula: Li5 Re1 O6
  • Reduced Formula: Li5ReO6
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m