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  1. Third-Parties
  2. MatprojStructure
  3. mp-720283

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-720283
  • Created at: Sept. 4, 2022, 2:43 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: ['K', 'H', 'Pt', 'C', 'N', 'O']
  • Chemical System: C-H-K-N-O-Pt
  • Density: 2.5614371931314
  • Atomic Density: 0.07151356943502431
  • Unit Cell Volume: 1118.6688153314215
  • Molar Volume: 8.420976337185333
  • Full Formula: K8 H24 Pt4 C16 N16 O12
  • Reduced Formula: K2H6PtC4N4O3
  • Formula Anonymous: AB2C3D4E4F6
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -513.50599606
  • Final energy per atom: -6.41882495075
  • 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.