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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224608

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-1224608
  • 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: 23
  • Number of elements: 5
  • Element list: ['H', 'Pt', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Pt
  • Density: 2.064788573611476
  • Atomic Density: 0.057900490059306114
  • Unit Cell Volume: 397.2332527141245
  • Molar Volume: 10.400845923465694
  • Full Formula: H10 Pt1 C4 N2 Cl6
  • Reduced Formula: H10PtC4(NCl3)2
  • Formula Anonymous: AB2C4D6E10
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -111.47018996
  • Final energy per atom: -4.84652999826087
  • 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.