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  1. Third-Parties
  2. MatprojStructure
  3. mp-684676

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-684676
  • 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: 120
  • Number of elements: 2
  • Element list: ['Al', 'S']
  • Chemical System: Al-S
  • Density: 2.6406104616226203
  • Atomic Density: 0.052951290380919426
  • Unit Cell Volume: 2266.233724178345
  • Molar Volume: 11.372982068384173
  • Full Formula: Al48 S72
  • Reduced Formula: Al2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -624.19480548
  • Final energy per atom: -5.201623379
  • 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.