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-117054
  • 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: ['Mg', 'Sc', 'Mo', 'S']
  • Chemical System: Mg-Mo-S-Sc
  • Density: 3.6789647515551374
  • Atomic Density: 0.04862369268908702
  • Unit Cell Volume: 287.9254788302437
  • Molar Volume: 12.385198299329485
  • Full Formula: Mg2 Sc1 Mo3 S8
  • Reduced Formula: Mg2ScMo3S8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m