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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-14705
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Al', 'C', 'Th']
  • Chemical System: Al-C-Th
  • Density: 5.687899913612101
  • Atomic Density: 0.07945217324494075
  • Unit Cell Volume: 113.27569319286167
  • Molar Volume: 7.5795796565998526
  • Full Formula: Th1 Al4 C4
  • Reduced Formula: Th(AlC)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m