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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97848
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ti', 'Ni', 'O']
  • Chemical System: Ni-O-Ti
  • Density: 6.690440231371525
  • Atomic Density: 0.08401897811052217
  • Unit Cell Volume: 333.2580403818718
  • Molar Volume: 7.167595816362129
  • Full Formula: Ti12 Ni12 O4
  • Reduced Formula: Ti3Ni3O
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m