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-440703
  • Created at: Sept. 4, 2022, 3 p.m.
  • Last updated at: Sept. 4, 2022, 3 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ir', 'Np', 'U']
  • Chemical System: Ir-Np-U
  • Density: 20.147228289826412
  • Atomic Density: 0.053609994245556326
  • Unit Cell Volume: 74.61295335489717
  • Molar Volume: 11.233242690562623
  • Full Formula: Np1 U2 Ir1
  • Reduced Formula: NpU2Ir
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m