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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103351

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-1103351
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Na', 'Mg', 'Si', 'Se']
  • Chemical System: Mg-Na-Se-Si
  • Density: 3.407736879675942
  • Atomic Density: 0.04128541591388891
  • Unit Cell Volume: 314.8811683795256
  • Molar Volume: 14.586605528113571
  • Full Formula: Na4 Mg1 Si2 Se6
  • Reduced Formula: Na4Mg(SiSe3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -53.97274875
  • Final energy per atom: -4.151749903846154
  • 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.