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-33803
  • 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: 8
  • Number of elements: 2
  • Element list: ['Pr', 'I']
  • Chemical System: I-Pr
  • Density: 4.354630387594192
  • Atomic Density: 0.020109768697550753
  • Unit Cell Volume: 397.8166094458536
  • Molar Volume: 29.94634523436095
  • Full Formula: Pr2 I6
  • Reduced Formula: PrI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm