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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1238412
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ba', 'Ti']
  • Chemical System: Ba-Ti
  • Density: 1.4038674730401335
  • Atomic Density: 0.007863941449351958
  • Unit Cell Volume: 762.9761791390805
  • Molar Volume: 76.57916578837532
  • Full Formula: Ba4 Ti2
  • Reduced Formula: Ba2Ti
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m