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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94826
  • 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: ['Al', 'Zn', 'S']
  • Chemical System: Al-S-Zn
  • Density: 2.9558774326863793
  • Atomic Density: 0.05031859007709944
  • Unit Cell Volume: 139.11359577592336
  • Molar Volume: 11.968023648462168
  • Full Formula: Al2 Zn1 S4
  • Reduced Formula: Al2ZnS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m