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-45805
  • 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: 24
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-Li-O
  • Density: 4.011322224188508
  • Atomic Density: 0.12413222809436394
  • Unit Cell Volume: 193.3422155425702
  • Molar Volume: 4.851391820198406
  • Full Formula: Li8 Cr1 Fe3 O12
  • Reduced Formula: Li8Cr(FeO4)3
  • Formula Anonymous: AB3C8D12
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2