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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179978

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-1179978
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Pb', 'C', 'S', 'Br', 'N']
  • Chemical System: Br-C-N-Pb-S
  • Density: 3.1633904681903497
  • Atomic Density: 0.03036974710014618
  • Unit Cell Volume: 460.9850702356561
  • Molar Volume: 19.829407008697192
  • Full Formula: Pb2 C2 S2 Br4 N4
  • Reduced Formula: PbCS(BrN)2
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -71.71704817999999
  • Final energy per atom: -5.122646298571428
  • 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.