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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215129

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-1215129
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Al', 'Cu', 'S', 'Cl', 'O']
  • Chemical System: Al-Cl-Cu-O-S
  • Density: 3.37971651815636
  • Atomic Density: 0.07308461274645138
  • Unit Cell Volume: 766.2351608029704
  • Molar Volume: 8.239957131458434
  • Full Formula: Al2 Cu12 S2 Cl2 O38
  • Reduced Formula: AlCu6SClO19
  • Formula Anonymous: ABCD6E19
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -278.47705345
  • Final energy per atom: -4.972804525892857
  • 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.