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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59867
  • 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: ['Ti', 'Zn', 'S']
  • Chemical System: S-Ti-Zn
  • Density: 3.841238405863873
  • Atomic Density: 0.0559522011401991
  • Unit Cell Volume: 250.213570059921
  • Molar Volume: 10.763009564021184
  • Full Formula: Ti4 Zn2 S8
  • Reduced Formula: Ti2ZnS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm