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-757393
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Np', 'Zr']
  • Chemical System: Np-Zr
  • Density: 12.651778243288684
  • Atomic Density: 0.04642609283399135
  • Unit Cell Volume: 344.6337829291857
  • Molar Volume: 12.971457196567759
  • Full Formula: Zr8 Np8
  • Reduced Formula: ZrNp
  • Formula Anonymous: AB
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm