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  1. Third-Parties
  2. MatprojStructure
  3. mp-684864

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-684864
  • 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: 45
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Fe-Na-O-Si
  • Density: 2.6202626645932554
  • Atomic Density: 0.07534996029577015
  • Unit Cell Volume: 597.2133206621759
  • Molar Volume: 7.992228179499199
  • Full Formula: Na6 Al4 Fe1 Si8 O26
  • Reduced Formula: Na6Al4Fe(Si4O13)2
  • Formula Anonymous: AB4C6D8E26
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -340.71878164
  • Final energy per atom: -7.5715284808888885
  • 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.