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  1. Third-Parties
  2. MatprojStructure
  3. mp-531296

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-531296
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ge', 'Pb', 'S']
  • Chemical System: Ge-Pb-S
  • Density: 5.422137166427583
  • Atomic Density: 0.03714775113485619
  • Unit Cell Volume: 1507.4936783307594
  • Molar Volume: 16.211319867353563
  • Full Formula: Ge8 Pb16 S32
  • Reduced Formula: Ge(PbS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -269.47753981
  • Final energy per atom: -4.812098925178572
  • 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.