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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195182

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-1195182
  • 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: 59
  • Number of elements: 5
  • Element list: ['P', 'H', 'Pt', 'C', 'N']
  • Chemical System: C-H-N-P-Pt
  • Density: 1.4904138233608508
  • Atomic Density: 0.10115598149522521
  • Unit Cell Volume: 583.2576495022682
  • Molar Volume: 5.9533214655074636
  • Full Formula: P2 H38 Pt1 C12 N6
  • Reduced Formula: P2H38Pt(C2N)6
  • Formula Anonymous: AB2C6D12E38
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -316.17813228
  • Final energy per atom: -5.3589513945762715
  • 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.