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-1350697
  • 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: ['Lu', 'Mo', 'N', 'Re']
  • Chemical System: Lu-Mo-N-Re
  • Density: 9.694792222841242
  • Atomic Density: 0.08089243543957211
  • Unit Cell Volume: 988.9676280022651
  • Molar Volume: 7.444627828641197
  • Full Formula: Lu12 Re12 Mo8 N48
  • Reduced Formula: Lu3Re3(MoN6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m