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-94865
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Mg', 'Al', 'Se']
  • Chemical System: Al-Mg-Se
  • Density: 3.8354866547433337
  • Atomic Density: 0.04102551889581927
  • Unit Cell Volume: 170.6255079375325
  • Molar Volume: 14.679011800661685
  • Full Formula: Mg1 Al2 Se4
  • Reduced Formula: Mg(AlSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m