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  1. Third-Parties
  2. MatprojStructure
  3. mp-558360

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-558360
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Al', 'As', 'S', 'Cl']
  • Chemical System: Al-As-Cl-S
  • Density: 2.3499643865811235
  • Atomic Density: 0.03321522771371171
  • Unit Cell Volume: 782.773498471812
  • Molar Volume: 18.130662273057293
  • Full Formula: Al2 As6 S10 Cl8
  • Reduced Formula: AlAs3S5Cl4
  • Formula Anonymous: AB3C4D5
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -117.76819881
  • Final energy per atom: -4.529546108076923
  • 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.