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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220047

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-1220047
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Pr', 'Si', 'Pb', 'Se']
  • Chemical System: Pb-Pr-Se-Si
  • Density: 5.351164597185186
  • Atomic Density: 0.03559716713691999
  • Unit Cell Volume: 730.3951997077266
  • Molar Volume: 16.91747193487785
  • Full Formula: Pr4 Si4 Pb2 Se16
  • Reduced Formula: Pr2Si2PbSe8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -138.74843267
  • Final energy per atom: -5.336478179615384
  • 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.