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-101209
  • 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: 10
  • Number of elements: 4
  • Element list: ['Cr', 'Cu', 'P', 'Se']
  • Chemical System: Cr-Cu-P-Se
  • Density: 4.794651693011439
  • Atomic Density: 0.04433640548323058
  • Unit Cell Volume: 225.54828004228517
  • Molar Volume: 13.582834905905402
  • Full Formula: Cr1 Cu1 P2 Se6
  • Reduced Formula: CrCu(PSe3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2