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-113108
  • 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: 14
  • Number of elements: 4
  • Element list: ['Cr', 'Ga', 'Cu', 'S']
  • Chemical System: Cr-Cu-Ga-S
  • Density: 4.0196993409306225
  • Atomic Density: 0.05669384645295441
  • Unit Cell Volume: 246.94038023363711
  • Molar Volume: 10.622212350677746
  • Full Formula: Cr4 Ga1 Cu1 S8
  • Reduced Formula: Cr4GaCuS8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m