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-63018
  • 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: 16
  • Number of elements: 3
  • Element list: ['Li', 'B', 'F']
  • Chemical System: B-F-Li
  • Density: 2.465263409183578
  • Atomic Density: 0.09923490015299159
  • Unit Cell Volume: 161.23359801171378
  • Molar Volume: 6.068571390423729
  • Full Formula: Li4 B2 F10
  • Reduced Formula: Li2BF5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm