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  1. Third-Parties
  2. MatprojStructure
  3. mp-568299

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-568299
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['K', 'Pt', 'C', 'Br', 'N']
  • Chemical System: Br-C-K-N-Pt
  • Density: 3.122048520809777
  • Atomic Density: 0.04550212647944819
  • Unit Cell Volume: 571.4018664983348
  • Molar Volume: 13.234855656075773
  • Full Formula: K4 Pt2 C8 Br4 N8
  • Reduced Formula: K2PtC4(BrN2)2
  • Formula Anonymous: AB2C2D4E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -173.81973019
  • Final energy per atom: -6.685374238076923
  • 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.