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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215165

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-1215165
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Al', 'Fe', 'S', 'O']
  • Chemical System: Al-Fe-O-S
  • Density: 1.9673638022570796
  • Atomic Density: 0.05818239951986949
  • Unit Cell Volume: 1787.482139929338
  • Molar Volume: 10.350451012154318
  • Full Formula: Al2 Fe6 S12 O84
  • Reduced Formula: AlFe3(SO7)6
  • Formula Anonymous: AB3C6D42
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -575.4008760099999
  • Final energy per atom: -5.532700730865384
  • 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.