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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173823

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-1173823
  • 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: 80
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Ca-Fe-Na-O-Si
  • Density: 3.3727531936468544
  • Atomic Density: 0.09022603884293315
  • Unit Cell Volume: 886.6619994175429
  • Molar Volume: 6.674504208794352
  • Full Formula: Na4 Ca4 Al4 Fe4 Si16 O48
  • Reduced Formula: NaCaAlFe(SiO3)4
  • Formula Anonymous: ABCDE4F12
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -632.83133116
  • Final energy per atom: -7.9103916395
  • 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.