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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221399

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-1221399
  • 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: 20
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Fe-Na-O-Si
  • Density: 3.334238044725601
  • Atomic Density: 0.09271464273369208
  • Unit Cell Volume: 215.71565623616527
  • Molar Volume: 6.495350229949795
  • Full Formula: Na2 Al1 Fe1 Si4 O12
  • Reduced Formula: Na2AlFe(SiO3)4
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -154.82190351
  • Final energy per atom: -7.7410951755
  • 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.