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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199369

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-1199369
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['H', 'Pt', 'C', 'Br']
  • Chemical System: Br-C-H-Pt
  • Density: 2.9562211977825914
  • Atomic Density: 0.07786488418392774
  • Unit Cell Volume: 1438.3890912293705
  • Molar Volume: 7.734090691992633
  • Full Formula: H72 Pt8 C24 Br8
  • Reduced Formula: H9PtC3Br
  • Formula Anonymous: ABC3D9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -545.75822198
  • Final energy per atom: -4.872841267678572
  • 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.