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-37646
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Sc', 'H', 'Pd']
  • Chemical System: H-Pd-Sc
  • Density: 8.157960831268529
  • Atomic Density: 0.10672901352640388
  • Unit Cell Volume: 74.95618797245668
  • Molar Volume: 5.642458935039414
  • Full Formula: Sc1 H4 Pd3
  • Reduced Formula: ScH4Pd3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m