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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1027288
  • Created at: Sept. 4, 2022, 3:28 p.m.
  • Last updated at: Sept. 4, 2022, 3:28 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ac', 'Al', 'As', 'O']
  • Chemical System: Ac-Al-As-O
  • Density: 6.141901274424752
  • Atomic Density: 0.042896053095494734
  • Unit Cell Volume: 186.49734469020927
  • Molar Volume: 14.038915763633485
  • Full Formula: Ac2 Al2 As2 O2
  • Reduced Formula: AcAlAsO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm