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-37688
  • 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: 4
  • Number of elements: 3
  • Element list: ['Pr', 'Y', 'Tl']
  • Chemical System: Pr-Tl-Y
  • Density: 9.3075695512408
  • Atomic Density: 0.03511007874528651
  • Unit Cell Volume: 113.92740042022822
  • Molar Volume: 17.15217104378744
  • Full Formula: Pr1 Y1 Tl2
  • Reduced Formula: PrYTl2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m