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  1. Third-Parties
  2. MatprojStructure
  3. mp-680211

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-680211
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Cu', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Se
  • Density: 4.009019284357885
  • Atomic Density: 0.06015378518472913
  • Unit Cell Volume: 1097.1878128253684
  • Molar Volume: 10.011241589380155
  • Full Formula: Cu18 Se8 Cl12 O28
  • Reduced Formula: Cu9Se4(Cl3O7)2
  • Formula Anonymous: A4B6C9D14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -329.76801002
  • Final energy per atom: -4.99648500030303
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.