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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-118505
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Al', 'Cl', 'Se']
  • Chemical System: Al-Cl-Se
  • Density: 2.604648207647739
  • Atomic Density: 0.03360708817442894
  • Unit Cell Volume: 1666.3151448690355
  • Molar Volume: 17.919257773073436
  • Full Formula: Al8 Se16 Cl32
  • Reduced Formula: Al(SeCl2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm