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-48101
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'O']
  • Chemical System: Fe-Li-O
  • Density: 4.767652014434038
  • Atomic Density: 0.12116487679687629
  • Unit Cell Volume: 66.02573461458961
  • Molar Volume: 4.970203345393288
  • Full Formula: Li2 Fe2 O4
  • Reduced Formula: LiFeO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm