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  1. Third-Parties
  2. MatprojStructure
  3. mp-649982

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-649982
  • 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: 76
  • Number of elements: 3
  • Element list: ['Sb', 'Pb', 'S']
  • Chemical System: Pb-S-Sb
  • Density: 5.690942131954312
  • Atomic Density: 0.037079499702455346
  • Unit Cell Volume: 2049.6500926350795
  • Molar Volume: 16.2411596928888
  • Full Formula: Sb16 Pb18 S42
  • Reduced Formula: Sb8(Pb3S7)3
  • Formula Anonymous: A8B9C21
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -356.71050907999995
  • Final energy per atom: -4.693559329999999
  • 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.