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-20654
  • 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: ['As', 'Fe', 'Sr']
  • Chemical System: As-Fe-Sr
  • Density: 6.37665415651586
  • Atomic Density: 0.05499177570425846
  • Unit Cell Volume: 90.92268681938215
  • Molar Volume: 10.950984366074321
  • Full Formula: Sr1 Fe2 As2
  • Reduced Formula: Sr(FeAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm