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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221456

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-1221456
  • 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: 6
  • Element list: ['Na', 'Mg', 'Fe', 'Se', 'S', 'O']
  • Chemical System: Fe-Mg-Na-O-S-Se
  • Density: 3.0427957109543375
  • Atomic Density: 0.0714437897140749
  • Unit Cell Volume: 503.8926426506146
  • Molar Volume: 8.429201172139948
  • Full Formula: Na2 Mg2 Fe2 Se3 S3 O24
  • Reduced Formula: Na2Mg2Fe2Se3(SO8)3
  • Formula Anonymous: A2B2C2D3E3F24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -230.83603639
  • Final energy per atom: -6.412112121944444
  • 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.