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-17746
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cu', 'As', 'S']
  • Chemical System: As-Cu-S
  • Density: 4.3402621652755675
  • Atomic Density: 0.05309572139857838
  • Unit Cell Volume: 150.67127424346847
  • Molar Volume: 11.342045274784121
  • Full Formula: Cu3 As1 S4
  • Reduced Formula: Cu3AsS4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m