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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228904

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-1228904
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Al', 'P', 'H', 'C', 'Cl']
  • Chemical System: Al-C-Cl-H-P
  • Density: 1.2711533349107913
  • Atomic Density: 0.05876928922372332
  • Unit Cell Volume: 544.5020762150481
  • Molar Volume: 10.24708795962271
  • Full Formula: Al2 P2 H16 C6 Cl6
  • Reduced Formula: AlPH8(CCl)3
  • Formula Anonymous: ABC3D3E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -156.57356794
  • Final energy per atom: -4.892923998125
  • 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.