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-49861
  • 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: 8
  • Number of elements: 3
  • Element list: ['Li', 'Lu', 'O']
  • Chemical System: Li-Lu-O
  • Density: 7.570640493544155
  • Atomic Density: 0.08525481697867333
  • Unit Cell Volume: 93.83634008622899
  • Molar Volume: 7.063695605031268
  • Full Formula: Li2 Lu2 O4
  • Reduced Formula: LiLuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm