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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229278

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-1229278
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 113
  • Number of elements: 4
  • Element list: ['Al', 'H', 'S', 'O']
  • Chemical System: Al-H-O-S
  • Density: 1.9174892645485926
  • Atomic Density: 0.10741785313840889
  • Unit Cell Volume: 1051.9666582276454
  • Molar Volume: 5.606275478472295
  • Full Formula: Al4 H50 S7 O52
  • Reduced Formula: Al4H50S7O52
  • Formula Anonymous: A4B7C50D52
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -650.15488112
  • Final energy per atom: -5.753583018761062
  • 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.