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-304357
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Np', 'Re']
  • Chemical System: Np-Re
  • Density: 20.16451978634952
  • Atomic Density: 0.0541384882432557
  • Unit Cell Volume: 73.88458986935787
  • Molar Volume: 11.123585004703578
  • Full Formula: Np3 Re1
  • Reduced Formula: Np3Re
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm