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-49197
  • 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: 22
  • Number of elements: 3
  • Element list: ['Li', 'Zn', 'O']
  • Chemical System: Li-O-Zn
  • Density: 2.8771688520053442
  • Atomic Density: 0.11142413155577108
  • Unit Cell Volume: 197.44376458512804
  • Molar Volume: 5.404700647799746
  • Full Formula: Li12 Zn2 O8
  • Reduced Formula: Li6ZnO4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm