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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10687
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Ba', 'Ga', 'B', 'O', 'F']
  • Chemical System: B-Ba-F-Ga-O
  • Density: 4.982450444498425
  • Atomic Density: 0.07899799190374189
  • Unit Cell Volume: 202.53679384022584
  • Molar Volume: 7.623156759905881
  • Full Formula: Ba2 Ga2 B2 O6 F4
  • Reduced Formula: BaGaBO3F2
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m