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  1. Third-Parties
  2. MatprojStructure
  3. mp-733454

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-733454
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Pb', 'C', 'S', 'Br', 'N']
  • Chemical System: Br-C-N-Pb-S
  • Density: 2.8835288153502345
  • Atomic Density: 0.03736704562703718
  • Unit Cell Volume: 588.7540647334921
  • Molar Volume: 16.11618114021473
  • Full Formula: Pb2 C4 S4 Br4 N8
  • Reduced Formula: PbC2S2(BrN2)2
  • Formula Anonymous: AB2C2D2E4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -127.58349271
  • Final energy per atom: -5.799249668636364
  • 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.