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  1. Third-Parties
  2. MatprojStructure
  3. mp-29559

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-29559
  • 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: 16
  • Number of elements: 3
  • Element list: ['La', 'Si', 'Cl']
  • Chemical System: Cl-La-Si
  • Density: 4.6499115178842
  • Atomic Density: 0.03917251880041661
  • Unit Cell Volume: 408.44960931717867
  • Molar Volume: 15.37338150421911
  • Full Formula: La6 Si6 Cl4
  • Reduced Formula: La3Si3Cl2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -92.75370014
  • Final energy per atom: -5.79710625875
  • 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.