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-12312
  • 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: 3
  • Element list: ['Mg', 'In', 'S']
  • Chemical System: In-Mg-S
  • Density: 3.9673786368424535
  • Atomic Density: 0.04375833350848675
  • Unit Cell Volume: 319.93905794617973
  • Molar Volume: 13.762271725526363
  • Full Formula: Mg2 In4 S8
  • Reduced Formula: Mg(InS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m