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  1. Third-Parties
  2. MatprojStructure
  3. mp-651706

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-651706
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Cu', 'Ag', 'Bi', 'Pb', 'S']
  • Chemical System: Ag-Bi-Cu-Pb-S
  • Density: 6.580545215631016
  • Atomic Density: 0.04257322212031438
  • Unit Cell Volume: 1973.0712362482493
  • Molar Volume: 14.145372278802585
  • Full Formula: Cu12 Ag2 Bi24 Pb2 S44
  • Reduced Formula: Cu6AgBi12PbS22
  • Formula Anonymous: ABC6D12E22
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -383.3051942100001
  • Final energy per atom: -4.563157073928572
  • 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.