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-1350767
  • 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', 'Ta']
  • Chemical System: Gd-N-Re-Ta
  • Density: 9.794207164873212
  • Atomic Density: 0.07585691958617334
  • Unit Cell Volume: 1054.617040033113
  • Molar Volume: 7.9388153287174505
  • Full Formula: Gd12 Ta12 Re8 N48
  • Reduced Formula: Gd3Ta3(ReN6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m