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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1340488
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 61
  • Number of elements: 2
  • Element list: ['Ba', 'Ga']
  • Chemical System: Ba-Ga
  • Density: 5.738285846331037
  • Atomic Density: 0.03715920712481293
  • Unit Cell Volume: 1641.5850799805537
  • Molar Volume: 16.206322001899593
  • Full Formula: Ba21 Ga40
  • Reduced Formula: Ba21Ga40
  • Formula Anonymous: A21B40
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m