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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106846
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Ga', 'Si', 'S']
  • Chemical System: Ba-Ga-S-Si
  • Density: 3.565347269243741
  • Atomic Density: 0.04317966393279689
  • Unit Cell Volume: 231.59050092570433
  • Molar Volume: 13.946705952535018
  • Full Formula: Ba1 Ga2 Si1 S6
  • Reduced Formula: BaGa2SiS6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1