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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-111313
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Br', 'La', 'Sb']
  • Chemical System: Br-La-Sb
  • Density: 6.591596086453995
  • Atomic Density: 0.03232890290859118
  • Unit Cell Volume: 1732.1961143667015
  • Molar Volume: 18.627730044002384
  • Full Formula: La18 Sb32 Br6
  • Reduced Formula: La9Sb16Br3
  • Formula Anonymous: A3B9C16
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m