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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179958

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-1179958
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Pt', 'C', 'I', 'N']
  • Chemical System: C-I-N-Pt
  • Density: 3.3983564368706722
  • Atomic Density: 0.026760828888677052
  • Unit Cell Volume: 1494.722012027238
  • Molar Volume: 22.5035658837461
  • Full Formula: Pt4 C16 I16 N4
  • Reduced Formula: PtC4I4N
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -189.398528
  • Final energy per atom: -4.7349632
  • 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.