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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101232
  • 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', 'Se']
  • Chemical System: Ba-Ga-Se-Si
  • Density: 4.8031338423948196
  • Atomic Density: 0.03714932036423123
  • Unit Cell Volume: 269.18392858751673
  • Molar Volume: 16.210635082838138
  • Full Formula: Ba1 Ga2 Si1 Se6
  • Reduced Formula: BaGa2SiSe6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1