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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9692
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'O']
  • Chemical System: Al-O-Ti
  • Density: 3.6298621765151617
  • Atomic Density: 0.09617727485058405
  • Unit Cell Volume: 166.35946511124126
  • Molar Volume: 6.261500722863775
  • Full Formula: Ti2 Al4 O10
  • Reduced Formula: TiAl2O5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm