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-39997
  • 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: ['Ac', 'Ir', 'Pd']
  • Chemical System: Ac-Ir-Pd
  • Density: 11.84407173439749
  • Atomic Density: 0.0379076060202876
  • Unit Cell Volume: 105.5197207088007
  • Molar Volume: 15.886365276607123
  • Full Formula: Ac2 Ir1 Pd1
  • Reduced Formula: Ac2IrPd
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m