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-116519
  • 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: 26
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'F']
  • Chemical System: F-Fe-Li
  • Density: 3.8147176239948695
  • Atomic Density: 0.08957473887840064
  • Unit Cell Volume: 290.2604051717692
  • Molar Volume: 6.723034680765485
  • Full Formula: Li4 Fe6 F16
  • Reduced Formula: Li2Fe3F8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1