Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202430

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-1202430
  • 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: 64
  • Number of elements: 5
  • Element list: ['Al', 'H', 'S', 'Cl', 'O']
  • Chemical System: Al-Cl-H-O-S
  • Density: 1.8924160297747772
  • Atomic Density: 0.10583074000022225
  • Unit Cell Volume: 604.7392279394966
  • Molar Volume: 5.690351177727146
  • Full Formula: Al4 H30 S2 Cl2 O26
  • Reduced Formula: Al2H15SClO13
  • Formula Anonymous: ABC2D13E15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -365.59175808
  • Final energy per atom: -5.71237122
  • 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.