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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196346

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-1196346
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 3
  • Element list: ['Ce', 'C', 'Cl']
  • Chemical System: C-Ce-Cl
  • Density: 5.720783662371269
  • Atomic Density: 0.051760795693753116
  • Unit Cell Volume: 908.0231354649039
  • Molar Volume: 11.634559861928084
  • Full Formula: Ce18 C18 Cl11
  • Reduced Formula: Ce18C18Cl11
  • Formula Anonymous: A11B18C18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -345.27092671
  • Final energy per atom: -7.34618993
  • 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.