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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119959
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ba', 'Se']
  • Chemical System: Ba-Se
  • Density: 4.15806748591656
  • Atomic Density: 0.021243899589741044
  • Unit Cell Volume: 141.21701090362615
  • Molar Volume: 28.347623912269714
  • Full Formula: Ba2 Se1
  • Reduced Formula: Ba2Se
  • Formula Anonymous: AB2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm