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  1. Third-Parties
  2. MatprojStructure
  3. mp-605028

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-605028
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Te', 'Pd', 'Pb']
  • Chemical System: Pb-Pd-Te
  • Density: 9.46556004339004
  • Atomic Density: 0.04035157098199731
  • Unit Cell Volume: 346.9505563053801
  • Molar Volume: 14.924179191652174
  • Full Formula: Te4 Pd6 Pb4
  • Reduced Formula: Te2Pd3Pb2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -63.84847958
  • Final energy per atom: -4.560605684285714
  • 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.