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-62361
  • 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: 40
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'F']
  • Chemical System: Al-F-Li
  • Density: 2.802008645770404
  • Atomic Density: 0.10429305530186107
  • Unit Cell Volume: 383.53464556413485
  • Molar Volume: 5.774249054809824
  • Full Formula: Li12 Al4 F24
  • Reduced Formula: Li3AlF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2