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  1. Third-Parties
  2. MatprojStructure
  3. mp-555818

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-555818
  • 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: 24
  • Number of elements: 4
  • Element list: ['Cu', 'Si', 'Pb', 'S']
  • Chemical System: Cu-Pb-S-Si
  • Density: 5.022239821722829
  • Atomic Density: 0.04931483655015213
  • Unit Cell Volume: 486.6689556112087
  • Molar Volume: 12.21162064255371
  • Full Formula: Cu6 Si3 Pb3 S12
  • Reduced Formula: Cu2SiPbS4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 154
  • Spacegroup Symbol: P3_221
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -118.8536714
  • Final energy per atom: -4.952236308333333
  • 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.