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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119303
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ti', 'Al', 'Ni', 'O']
  • Chemical System: Al-Ni-O-Ti
  • Density: 4.933848272149587
  • Atomic Density: 0.07639340599747717
  • Unit Cell Volume: 366.5237808735047
  • Molar Volume: 7.88306357252729
  • Full Formula: Ti12 Al8 Ni4 O4
  • Reduced Formula: Ti3Al2NiO
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m