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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221075

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-1221075
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mg', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-Mg-Na-O-Si
  • Density: 3.294545938796322
  • Atomic Density: 0.08866095628717806
  • Unit Cell Volume: 902.3137506082755
  • Molar Volume: 6.792325519808214
  • Full Formula: Na4 Ca4 Mg4 Fe4 Si16 O48
  • Reduced Formula: NaCaMgFe(SiO3)4
  • Formula Anonymous: ABCDE4F12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -621.06677879
  • Final energy per atom: -7.7633347348749995
  • 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.