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-112870
  • 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: 12
  • Number of elements: 2
  • Element list: ['Fe', 'O']
  • Chemical System: Fe-O
  • Density: 5.156986557510765
  • Atomic Density: 0.10606132347697841
  • Unit Cell Volume: 113.14209182581726
  • Molar Volume: 5.677980023799308
  • Full Formula: Fe4 O8
  • Reduced Formula: FeO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm