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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1238018
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Al', 'S']
  • Chemical System: Al-S
  • Density: 0.6034694076669411
  • Atomic Density: 0.012673226591353028
  • Unit Cell Volume: 473.43902176370887
  • Molar Volume: 47.518607172295965
  • Full Formula: Al4 S2
  • Reduced Formula: Al2S
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m