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-57746
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Li', 'Y', 'F']
  • Chemical System: F-Li-Y
  • Density: 4.000888569319554
  • Atomic Density: 0.0841265686041101
  • Unit Cell Volume: 142.64221397725862
  • Molar Volume: 7.158429090742424
  • Full Formula: Li2 Y2 F8
  • Reduced Formula: LiYF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 125
  • Spacegroup Symbol: P4/nbm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm