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-116899
  • 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: 22
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-Li-O
  • Density: 2.9970237516563216
  • Atomic Density: 0.10597190424612674
  • Unit Cell Volume: 207.60219566219692
  • Molar Volume: 5.682771110740052
  • Full Formula: Li4 Fe2 B4 O12
  • Reduced Formula: Li2Fe(BO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m