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-41379
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Sc', 'Pd']
  • Chemical System: Li-Pd-Sc
  • Density: 6.918220215031581
  • Atomic Density: 0.06294928144813491
  • Unit Cell Volume: 63.543219366144385
  • Molar Volume: 9.566655284161985
  • Full Formula: Li1 Sc1 Pd2
  • Reduced Formula: LiScPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m