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-29495
  • 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: 22
  • Number of elements: 4
  • Element list: ['Cu', 'As', 'S', 'Cl']
  • Chemical System: As-Cl-Cu-S
  • Density: 3.929239773280671
  • Atomic Density: 0.04382822253631008
  • Unit Cell Volume: 501.9596672389305
  • Molar Volume: 13.740326236161817
  • Full Formula: Cu4 As8 S6 Cl4
  • Reduced Formula: Cu2As4S3Cl2
  • Formula Anonymous: A2B2C3D4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m