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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193348

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-1193348
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['P', 'Pt', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-P-Pt
  • Density: 2.483287100114593
  • Atomic Density: 0.04896981297505323
  • Unit Cell Volume: 571.7808237140723
  • Molar Volume: 12.297659300981747
  • Full Formula: P2 Pt2 N10 Cl2 O12
  • Reduced Formula: PPtN5ClO6
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -154.68340921
  • Final energy per atom: -5.524407471785715
  • 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.