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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30641
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Se', 'Cl', 'O']
  • Chemical System: Cl-O-Se
  • Density: 3.6678794706772835
  • Atomic Density: 0.06437227092441167
  • Unit Cell Volume: 139.81175233926635
  • Molar Volume: 9.35517836099246
  • Full Formula: Se2 Cl2 O5
  • Reduced Formula: Se2Cl2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm