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-1350533
  • 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: ['Ho', 'Mo', 'N', 'Ta']
  • Chemical System: Ho-Mo-N-Ta
  • Density: 8.948497684298705
  • Atomic Density: 0.07711692251904702
  • Unit Cell Volume: 1037.3857953193203
  • Molar Volume: 7.80910410229687
  • Full Formula: Ho12 Ta12 Mo8 N48
  • Reduced Formula: Ho3Ta3(MoN6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m