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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71467
  • 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: 4
  • Number of elements: 3
  • Element list: ['Be', 'P', 'Se']
  • Chemical System: Be-P-Se
  • Density: 4.218118575456284
  • Atomic Density: 0.051341770336209513
  • Unit Cell Volume: 77.90927297220492
  • Molar Volume: 11.72951520869704
  • Full Formula: Be1 P1 Se2
  • Reduced Formula: BePSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm