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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196119

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-1196119
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Al', 'P', 'H', 'C', 'Cl']
  • Chemical System: Al-C-Cl-H-P
  • Density: 1.2808753201599214
  • Atomic Density: 0.06261710186888382
  • Unit Cell Volume: 542.9826514678659
  • Molar Volume: 9.617405756992676
  • Full Formula: Al2 P2 H18 C6 Cl6
  • Reduced Formula: AlPH9(CCl)3
  • Formula Anonymous: ABC3D3E9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -168.08509677
  • Final energy per atom: -4.943679316764706
  • 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.