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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-4879
  • 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', 'S']
  • Chemical System: Al-Mg-S
  • Density: 2.3588399106544045
  • Atomic Density: 0.04814689759781959
  • Unit Cell Volume: 145.38839155270944
  • Molar Volume: 12.507847982863018
  • Full Formula: Mg1 Al2 S4
  • Reduced Formula: Mg(AlS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m