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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173750

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-1173750
  • 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: 60
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Ca-Fe-Na-O-Si
  • Density: 3.379618423872212
  • Atomic Density: 0.09040969370690172
  • Unit Cell Volume: 663.645650592661
  • Molar Volume: 6.660945871051304
  • Full Formula: Na3 Ca3 Al3 Fe3 Si12 O36
  • Reduced Formula: NaCaAlFe(SiO3)4
  • Formula Anonymous: ABCDE4F12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -474.2219176
  • Final energy per atom: -7.9036986266666664
  • 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.