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  1. Third-Parties
  2. MatprojStructure
  3. mp-559963

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-559963
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Al', 'S', 'N', 'Cl']
  • Chemical System: Al-Cl-N-S
  • Density: 1.7219487414084091
  • Atomic Density: 0.033595942771991856
  • Unit Cell Volume: 952.4959670629527
  • Molar Volume: 17.92520245932945
  • Full Formula: Al4 S8 N4 Cl16
  • Reduced Formula: AlS2NCl4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -144.95900226
  • Final energy per atom: -4.529968820625
  • 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.