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-1350713
  • 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', 'Mo', 'N', 'Re']
  • Chemical System: Gd-Mo-N-Re
  • Density: 8.38899782032693
  • Atomic Density: 0.07771880489428139
  • Unit Cell Volume: 1029.3519066437223
  • Molar Volume: 7.748627591728593
  • Full Formula: Gd12 Re8 Mo12 N48
  • Reduced Formula: Gd3Re2(MoN4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m