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-692085
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Np', 'O', 'Sc']
  • Chemical System: Np-O-Sc
  • Density: 8.290092031053916
  • Atomic Density: 0.07275237911221576
  • Unit Cell Volume: 261.1598442807451
  • Molar Volume: 8.277586016412254
  • Full Formula: Np4 Sc4 O11
  • Reduced Formula: Np4Sc4O11
  • Formula Anonymous: A4B4C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1