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  1. Third-Parties
  2. MatprojStructure
  3. mp-680135

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-680135
  • 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: 112
  • Number of elements: 4
  • Element list: ['Cu', 'Bi', 'Pb', 'S']
  • Chemical System: Bi-Cu-Pb-S
  • Density: 6.848823565432135
  • Atomic Density: 0.04190190370813959
  • Unit Cell Volume: 2672.9095837773025
  • Molar Volume: 14.37199799308922
  • Full Formula: Cu12 Bi28 Pb12 S60
  • Reduced Formula: Cu3Bi7(PbS5)3
  • Formula Anonymous: A3B3C7D15
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -520.04376052
  • Final energy per atom: -4.6432478617857145
  • 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.