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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86220
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'Ga']
  • Chemical System: Al-Ba-Ga
  • Density: 4.619276403371508
  • Atomic Density: 0.035191880248921246
  • Unit Cell Volume: 454.65033089530516
  • Molar Volume: 17.112301807700653
  • Full Formula: Ba6 Al6 Ga4
  • Reduced Formula: Ba3Al3Ga2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm