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  1. Third-Parties
  2. MatprojStructure
  3. mp-706657

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-706657
  • 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: 75
  • Number of elements: 5
  • Element list: ['Al', 'Si', 'H', 'Cl', 'O']
  • Chemical System: Al-Cl-H-O-Si
  • Density: 2.744165791653838
  • Atomic Density: 0.10751854521641323
  • Unit Cell Volume: 697.5540810103045
  • Molar Volume: 5.6010251514086615
  • Full Formula: Al13 Si5 H18 Cl1 O38
  • Reduced Formula: Al13Si5H18ClO38
  • Formula Anonymous: AB5C13D18E38
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -521.6425870099999
  • Final energy per atom: -6.955234493466666
  • 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.