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-107299
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nd', 'Cu', 'Pd']
  • Chemical System: Cu-Nd-Pd
  • Density: 8.83306451082506
  • Atomic Density: 0.06322002097043268
  • Unit Cell Volume: 94.90664362174343
  • Molar Volume: 9.525686115821586
  • Full Formula: Nd1 Cu4 Pd1
  • Reduced Formula: NdCu4Pd
  • Formula Anonymous: ABC4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m