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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-14198
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['U', 'Pd', 'Se']
  • Chemical System: Pd-Se-U
  • Density: 8.72036988698759
  • Atomic Density: 0.04516831526308638
  • Unit Cell Volume: 442.78826614427476
  • Molar Volume: 13.332666327985825
  • Full Formula: U4 Pd4 Se12
  • Reduced Formula: UPdSe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm