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-1350661
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Gd', 'N', 'Re', 'W']
  • Chemical System: Gd-N-Re-W
  • Density: 10.01460658424981
  • Atomic Density: 0.07713357655055555
  • Unit Cell Volume: 1037.1618117249589
  • Molar Volume: 7.8074180263804
  • Full Formula: Gd12 Re8 W12 N48
  • Reduced Formula: Gd3Re2(WN4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m