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  1. Third-Parties
  2. MatprojStructure
  3. mp-556831

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-556831
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Al', 'Se', 'S', 'N', 'Cl']
  • Chemical System: Al-Cl-N-S-Se
  • Density: 2.0039580730166526
  • Atomic Density: 0.035366808387474816
  • Unit Cell Volume: 1244.1043454625844
  • Molar Volume: 17.027662473871253
  • Full Formula: Al4 Se4 S8 N8 Cl20
  • Reduced Formula: AlSeS2N2Cl5
  • Formula Anonymous: ABC2D2E5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -202.0377699
  • Final energy per atom: -4.591767497727273
  • 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.