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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-28376
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Mo', 'Se', 'S']
  • Chemical System: Mo-S-Se
  • Density: 5.77491726558682
  • Atomic Density: 0.05041050128679215
  • Unit Cell Volume: 119.02281958802968
  • Molar Volume: 11.946202886853332
  • Full Formula: Mo2 Se2 S2
  • Reduced Formula: MoSeS
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2