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  1. Third-Parties
  2. MatprojStructure
  3. mp-559034

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-559034
  • 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: 80
  • Number of elements: 6
  • Element list: ['H', 'Pb', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-Pb-S
  • Density: 2.1999267394302717
  • Atomic Density: 0.08866535044065585
  • Unit Cell Volume: 902.2690329695859
  • Molar Volume: 6.791988899914909
  • Full Formula: H36 Pb2 C12 S8 N4 O18
  • Reduced Formula: H18PbC6S4N2O9
  • Formula Anonymous: AB2C4D6E9F18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -449.12989865
  • Final energy per atom: -5.614123733125
  • 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.