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  1. Third-Parties
  2. MatprojStructure
  3. mp-684638

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-684638
  • 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: 40
  • Number of elements: 2
  • Element list: ['Al', 'S']
  • Chemical System: Al-S
  • Density: 2.632898979888516
  • Atomic Density: 0.052796654581923626
  • Unit Cell Volume: 757.6237607618247
  • Molar Volume: 11.40629232607068
  • Full Formula: Al16 S24
  • Reduced Formula: Al2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -213.32753458
  • Final energy per atom: -5.3331883645
  • 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.