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-112315
  • 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: 20
  • Number of elements: 2
  • Element list: ['Fe', 'O']
  • Chemical System: Fe-O
  • Density: 5.5810421507709975
  • Atomic Density: 0.10523577017917081
  • Unit Cell Volume: 190.04944769206028
  • Molar Volume: 5.722522626809221
  • Full Formula: Fe8 O12
  • Reduced Formula: Fe2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm