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-10873
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Pr', 'Cu', 'Se']
  • Chemical System: Cu-Pr-Se
  • Density: 6.546655220058425
  • Atomic Density: 0.04351848348355904
  • Unit Cell Volume: 367.65987045584166
  • Molar Volume: 13.838121823052774
  • Full Formula: Pr4 Cu4 Se8
  • Reduced Formula: PrCuSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m