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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223700

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-1223700
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Mg', 'Al', 'Fe', 'Si', 'H', 'O']
  • Chemical System: Al-Fe-H-Mg-O-Si
  • Density: 2.9157654659551446
  • Atomic Density: 0.10357134603653703
  • Unit Cell Volume: 733.7936882001065
  • Molar Volume: 5.814485367290253
  • Full Formula: Mg1 Al8 Fe3 Si8 H16 O40
  • Reduced Formula: MgAl8Fe3Si8(H2O5)8
  • Formula Anonymous: AB3C8D8E16F40
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -546.26832814
  • Final energy per atom: -7.187741159736842
  • 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.