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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196779

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-1196779
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 134
  • Number of elements: 6
  • Element list: ['La', 'H', 'Pt', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-La-N-O-Pt
  • Density: 2.484422747435721
  • Atomic Density: 0.0845323107291203
  • Unit Cell Volume: 1585.192677737114
  • Molar Volume: 7.12406972914494
  • Full Formula: La4 H56 Pt2 N8 Cl12 O52
  • Reduced Formula: La2H28PtN4(Cl3O13)2
  • Formula Anonymous: AB2C4D6E26F28
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -744.0751837700001
  • Final energy per atom: -5.552799878880598
  • 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.