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  1. Third-Parties
  2. MatprojStructure
  3. mp-24308

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-24308
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 6
  • Element list: ['Al', 'Si', 'H', 'C', 'Cl', 'O']
  • Chemical System: Al-C-Cl-H-O-Si
  • Density: 1.2279641343940229
  • Atomic Density: 0.0671997154625021
  • Unit Cell Volume: 1011.909046518872
  • Molar Volume: 8.961556933020638
  • Full Formula: Al4 Si4 H36 C12 Cl8 O4
  • Reduced Formula: AlSiH9C3Cl2O
  • Formula Anonymous: ABCD2E3F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -359.21384452
  • Final energy per atom: -5.282556537058824
  • 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.