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-63322
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Li', 'Au', 'F']
  • Chemical System: Au-F-Li
  • Density: 5.966558314561509
  • Atomic Density: 0.07702315611042176
  • Unit Cell Volume: 311.5946062453371
  • Molar Volume: 7.818610745275813
  • Full Formula: Li4 Au4 F16
  • Reduced Formula: LiAuF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m