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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215158

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-1215158
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 83
  • Number of elements: 4
  • Element list: ['Al', 'Ga', 'S', 'O']
  • Chemical System: Al-Ga-O-S
  • Density: 2.7833855442498137
  • Atomic Density: 0.08818037034837073
  • Unit Cell Volume: 941.252567573658
  • Molar Volume: 6.8293439188433505
  • Full Formula: Al12 Ga1 S4 O66
  • Reduced Formula: Al12Ga(S2O33)2
  • Formula Anonymous: AB4C12D66
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -444.98209858
  • Final energy per atom: -5.361230103373494
  • 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.