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  1. Third-Parties
  2. MatprojStructure
  3. mp-667192

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-667192
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['La', 'C', 'Cl']
  • Chemical System: C-Cl-La
  • Density: 5.017355455921995
  • Atomic Density: 0.048409036216294936
  • Unit Cell Volume: 454.46060734823294
  • Molar Volume: 12.440117033300679
  • Full Formula: La8 C10 Cl4
  • Reduced Formula: La4C5Cl2
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -159.97520372999998
  • Final energy per atom: -7.2716001695454535
  • 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.