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  1. Third-Parties
  2. MatprojStructure
  3. mp-554993

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-554993
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Pd', 'Pb', 'S']
  • Chemical System: Pb-Pd-S
  • Density: 8.678853318443117
  • Atomic Density: 0.045858801734771706
  • Unit Cell Volume: 305.28490650432155
  • Molar Volume: 13.131919134803313
  • Full Formula: Pd6 Pb4 S4
  • Reduced Formula: Pd3(PbS)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -70.37994488
  • Final energy per atom: -5.02713892
  • 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.