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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198123

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-1198123
  • 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: 120
  • Number of elements: 5
  • Element list: ['Al', 'H', 'C', 'S', 'Cl']
  • Chemical System: Al-C-Cl-H-S
  • Density: 1.339572104999272
  • Atomic Density: 0.05217242162362964
  • Unit Cell Volume: 2300.0657486377877
  • Molar Volume: 11.542766412959612
  • Full Formula: Al8 H56 C16 S8 Cl32
  • Reduced Formula: AlH7C2SCl4
  • Formula Anonymous: ABC2D4E7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -558.5055117300001
  • Final energy per atom: -4.654212597750001
  • 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.