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  1. Third-Parties
  2. MatprojStructure
  3. mp-532554

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-532554
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Al', 'Cu', 'Sb', 'H', 'O']
  • Chemical System: Al-Cu-H-O-Sb
  • Density: 3.2954262136130286
  • Atomic Density: 0.11578444339411362
  • Unit Cell Volume: 725.486063046277
  • Molar Volume: 5.201165703670136
  • Full Formula: Al3 Cu6 Sb3 H36 O36
  • Reduced Formula: AlCu2Sb(HO)12
  • Formula Anonymous: ABC2D12E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -466.40042216
  • Final energy per atom: -5.552385978095238
  • 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.