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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45256
  • 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: 24
  • Number of elements: 3
  • Element list: ['Co', 'P', 'Se']
  • Chemical System: Co-P-Se
  • Density: 6.202085572535287
  • Atomic Density: 0.06635371359764596
  • Unit Cell Volume: 361.69791709821425
  • Molar Volume: 9.075815705684404
  • Full Formula: Co8 P8 Se8
  • Reduced Formula: CoPSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm