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  1. Third-Parties
  2. MatprojStructure
  3. mp-669445

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-669445
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Cu', 'Bi', 'Pb', 'S']
  • Chemical System: Bi-Cu-Pb-S
  • Density: 6.711397720622206
  • Atomic Density: 0.03874146648938546
  • Unit Cell Volume: 903.4247583165042
  • Molar Volume: 15.54443160185991
  • Full Formula: Cu2 Bi8 Pb6 S19
  • Reduced Formula: Cu2Bi8Pb6S19
  • Formula Anonymous: A2B6C8D19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -163.44526756
  • Final energy per atom: -4.669864787428571
  • 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.