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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212907

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-1212907
  • 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: 64
  • Number of elements: 6
  • Element list: ['H', 'Pb', 'C', 'S', 'Br', 'N']
  • Chemical System: Br-C-H-N-Pb-S
  • Density: 3.229089508380792
  • Atomic Density: 0.07197730328575787
  • Unit Cell Volume: 889.169183595458
  • Molar Volume: 8.36672184854083
  • Full Formula: H20 Pb4 C8 S4 Br4 N24
  • Reduced Formula: H5PbC2SBrN6
  • Formula Anonymous: ABCD2E5F6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -391.50021912
  • Final energy per atom: -6.11719092375
  • 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.