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-117045
  • 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: ['Hf', 'Cr', 'Cu', 'S']
  • Chemical System: Cr-Cu-Hf-S
  • Density: 5.365236329034419
  • Atomic Density: 0.05355806058577384
  • Unit Cell Volume: 261.3985616148076
  • Molar Volume: 11.24413523218503
  • Full Formula: Hf2 Cr2 Cu2 S8
  • Reduced Formula: HfCrCuS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm