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  1. Third-Parties
  2. MatprojStructure
  3. mp-696179

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-696179
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 7
  • Element list: ['K', 'Na', 'H', 'Pt', 'C', 'N', 'O']
  • Chemical System: C-H-K-N-Na-O-Pt
  • Density: 2.592528203719824
  • Atomic Density: 0.07518920951672359
  • Unit Cell Volume: 531.9912292880696
  • Molar Volume: 8.009315164645473
  • Full Formula: K2 Na2 H12 Pt2 C8 N8 O6
  • Reduced Formula: KNaH6PtC4N4O3
  • Formula Anonymous: ABCD3E4F4G6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -256.7517117
  • Final energy per atom: -6.4187927925
  • 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.