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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194606

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-1194606
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 6
  • Element list: ['H', 'Pb', 'C', 'S', 'I', 'N']
  • Chemical System: C-H-I-N-Pb-S
  • Density: 3.10690197741298
  • Atomic Density: 0.05765590110910108
  • Unit Cell Volume: 971.2795901677497
  • Molar Volume: 10.44496858804518
  • Full Formula: H24 Pb4 C12 S8 I4 N4
  • Reduced Formula: H6PbC3S2IN
  • Formula Anonymous: ABCD2E3F6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -296.27531796
  • Final energy per atom: -5.290630677857143
  • 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.