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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-28550
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Mo', 'Se', 'S']
  • Chemical System: Mo-S-Se
  • Density: 3.7840583646210746
  • Atomic Density: 0.03573052075141245
  • Unit Cell Volume: 251.88549762864076
  • Molar Volume: 16.854332468025788
  • Full Formula: Mo3 Se2 S4
  • Reduced Formula: Mo3(SeS2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2