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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31888
  • 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: 30
  • Number of elements: 3
  • Element list: ['Mo', 'Se', 'Cl']
  • Chemical System: Cl-Mo-Se
  • Density: 2.93429344321891
  • Atomic Density: 0.03901994451384073
  • Unit Cell Volume: 768.8375873871048
  • Molar Volume: 15.433493909413153
  • Full Formula: Mo2 Se4 Cl24
  • Reduced Formula: Mo(SeCl6)2
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2