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  1. Third-Parties
  2. MatprojStructure
  3. mp-757796

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-757796
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 4
  • Element list: ['Al', 'H', 'S', 'O']
  • Chemical System: Al-H-O-S
  • Density: 2.281128320168636
  • Atomic Density: 0.1017040918244032
  • Unit Cell Volume: 1258.5530995252177
  • Molar Volume: 5.921237436933712
  • Full Formula: Al8 H40 S12 O68
  • Reduced Formula: Al2H10S3O17
  • Formula Anonymous: A2B3C10D17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -788.92348525
  • Final energy per atom: -6.163464728515625
  • 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.