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-25666
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sm', 'As', 'S']
  • Chemical System: As-S-Sm
  • Density: 6.466484023540698
  • Atomic Density: 0.04539645407265235
  • Unit Cell Volume: 264.33782649180563
  • Molar Volume: 13.265663327717586
  • Full Formula: Sm4 As4 S4
  • Reduced Formula: SmAsS
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm