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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1344001
  • Created at: Sept. 4, 2022, 3:45 p.m.
  • Last updated at: Sept. 4, 2022, 3:45 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Al', 'S']
  • Chemical System: Al-S
  • Density: 1.3761850024669169
  • Atomic Density: 0.027596183815281075
  • Unit Cell Volume: 1449.4757778012208
  • Molar Volume: 21.82236790532359
  • Full Formula: Al16 S24
  • Reduced Formula: Al2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m