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  1. Third-Parties
  2. MatprojStructure
  3. mp-725593

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-725593
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Ca-Fe-Na-O-Si
  • Density: 3.459946839514009
  • Atomic Density: 0.088064534081412
  • Unit Cell Volume: 908.4247232381122
  • Molar Volume: 6.838326941504944
  • Full Formula: Na2 Ca6 Al2 Fe6 Si16 O48
  • Reduced Formula: NaCa3AlFe3(SiO3)8
  • Formula Anonymous: ABC3D3E8F24
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -640.7418809000001
  • Final energy per atom: -8.00927351125
  • 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.