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-1350484
  • 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: ['N', 'Nd', 'Re', 'Ta']
  • Chemical System: N-Nd-Re-Ta
  • Density: 9.214374281239245
  • Atomic Density: 0.073203054082231
  • Unit Cell Volume: 1092.850578476327
  • Molar Volume: 8.226625016539835
  • Full Formula: Nd12 Ta12 Re8 N48
  • Reduced Formula: Nd3Ta3(ReN6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m