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  1. Third-Parties
  2. MatprojStructure
  3. mp-662535

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-662535
  • 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: 32
  • Number of elements: 3
  • Element list: ['Pb', 'Se', 'O']
  • Chemical System: O-Pb-Se
  • Density: 5.578666232697537
  • Atomic Density: 0.06038055310037293
  • Unit Cell Volume: 529.9719587994691
  • Molar Volume: 9.973642921072885
  • Full Formula: Pb4 Se8 O20
  • Reduced Formula: PbSe2O5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -185.39198339
  • Final energy per atom: -5.7934994809375
  • 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.