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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202068

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-1202068
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Pd', 'C', 'S', 'I', 'N']
  • Chemical System: C-I-N-Pd-S
  • Density: 2.422759375330095
  • Atomic Density: 0.04274129320081484
  • Unit Cell Volume: 889.069963827757
  • Molar Volume: 14.089748599102267
  • Full Formula: Pd2 C8 S8 I4 N16
  • Reduced Formula: PdC4S4(IN4)2
  • Formula Anonymous: AB2C4D4E8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -240.63195164
  • Final energy per atom: -6.33241978
  • 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.