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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-672333
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Pb', 'C', 'S', 'N', 'Cl']
  • Chemical System: C-Cl-N-Pb-S
  • Density: 4.580548743048561
  • Atomic Density: 0.04586209222162105
  • Unit Cell Volume: 436.0900044279113
  • Molar Volume: 13.130976953469524
  • Full Formula: Pb4 C4 S4 N4 Cl4
  • Reduced Formula: PbCSNCl
  • Formula Anonymous: ABCDE
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -120.31202004
  • Final energy per atom: -6.0156010019999995
  • 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.