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-103059
  • 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: ['Pr', 'Cu', 'Pd']
  • Chemical System: Cu-Pd-Pr
  • Density: 8.472551552598073
  • Atomic Density: 0.06104292659650227
  • Unit Cell Volume: 98.29148657403653
  • Molar Volume: 9.865419460974968
  • Full Formula: Pr1 Cu4 Pd1
  • Reduced Formula: PrCu4Pd
  • Formula Anonymous: ABC4
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2