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  1. Third-Parties
  2. MatprojStructure
  3. mp-698654

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-698654
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'Fe', 'S', 'O']
  • Chemical System: Fe-Mg-Na-O-S
  • Density: 2.711239676373192
  • Atomic Density: 0.07510189124067825
  • Unit Cell Volume: 479.34878077345854
  • Molar Volume: 8.018627308200413
  • Full Formula: Na2 Mg2 Fe2 S6 O24
  • Reduced Formula: NaMgFe(SO4)3
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -242.59496623
  • Final energy per atom: -6.738749061944445
  • 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.