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  1. Third-Parties
  2. MatprojStructure
  3. mp-27532

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-27532
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Si', 'Pb', 'Se']
  • Chemical System: Pb-Se-Si
  • Density: 5.823752030452503
  • Atomic Density: 0.032373984711826925
  • Unit Cell Volume: 864.8919880959537
  • Molar Volume: 18.60179033753599
  • Full Formula: Si4 Pb8 Se16
  • Reduced Formula: Si(PbSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -129.52675438
  • Final energy per atom: -4.625955513571428
  • 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.