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-16833
  • 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: 7
  • Number of elements: 2
  • Element list: ['Pr', 'B']
  • Chemical System: B-Pr
  • Density: 4.800038787191793
  • Atomic Density: 0.09833405038955523
  • Unit Cell Volume: 71.18592158330866
  • Molar Volume: 6.12416628435724
  • Full Formula: Pr1 B6
  • Reduced Formula: PrB6
  • Formula Anonymous: AB6
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m