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  1. Third-Parties
  2. MatprojStructure
  3. mp-643306

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-643306
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 6
  • Element list: ['H', 'Pb', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-Pb-S
  • Density: 4.427125092702363
  • Atomic Density: 0.0566668214287811
  • Unit Cell Volume: 423.52825506832454
  • Molar Volume: 10.627278199410975
  • Full Formula: H4 Pb4 C4 S4 N4 O4
  • Reduced Formula: HPbCSNO
  • Formula Anonymous: ABCDEF
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -151.15205450000002
  • Final energy per atom: -6.298002270833334
  • 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.