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-21648
  • 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: 22
  • Number of elements: 3
  • Element list: ['Pr', 'Al', 'Au']
  • Chemical System: Al-Au-Pr
  • Density: 7.438416629465913
  • Atomic Density: 0.05352001935624308
  • Unit Cell Volume: 411.0611368348415
  • Molar Volume: 11.252127395386529
  • Full Formula: Pr2 Al14 Au6
  • Reduced Formula: PrAl7Au3
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m