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  1. Third-Parties
  2. MatprojStructure
  3. mp-768918

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-768918
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Ce', 'Cl', 'O']
  • Chemical System: Ce-Cl-O
  • Density: 2.2917199107779735
  • Atomic Density: 0.05387848002398653
  • Unit Cell Volume: 779.5320131767216
  • Molar Volume: 11.177265500658079
  • Full Formula: Ce2 Cl8 O32
  • Reduced Formula: Ce(ClO4)4
  • Formula Anonymous: AB4C16
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -220.91257438
  • Final energy per atom: -5.25982319952381
  • 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.