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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201938

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-1201938
  • 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: 172
  • Number of elements: 5
  • Element list: ['Al', 'H', 'C', 'S', 'O']
  • Chemical System: Al-C-H-O-S
  • Density: 1.5992338253117473
  • Atomic Density: 0.09851522457673505
  • Unit Cell Volume: 1745.9230361498746
  • Molar Volume: 6.112903651058787
  • Full Formula: Al4 H84 C12 S12 O60
  • Reduced Formula: AlH21C3(SO5)3
  • Formula Anonymous: AB3C3D15E21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -969.87042112
  • Final energy per atom: -5.638781518139535
  • 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.