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-106550
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'La', 'Tl']
  • Chemical System: La-Li-Tl
  • Density: 8.505783636594149
  • Atomic Density: 0.03694325223989132
  • Unit Cell Volume: 108.27417072070338
  • Molar Volume: 16.30105741880866
  • Full Formula: Li1 La1 Tl2
  • Reduced Formula: LiLaTl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m