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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-30223
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Fe', 'Lu', 'Si']
  • Chemical System: Fe-Lu-Si
  • Density: 7.902688292760212
  • Atomic Density: 0.0694095892077843
  • Unit Cell Volume: 72.03615605665117
  • Molar Volume: 8.676237431649596
  • Full Formula: Lu1 Fe2 Si2
  • Reduced Formula: Lu(FeSi)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm