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  1. Third-Parties
  2. MatprojStructure
  3. mp-9479

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-9479
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Mg', 'Al', 'Se']
  • Chemical System: Al-Mg-Se
  • Density: 3.579237882520728
  • Atomic Density: 0.0382846049536868
  • Unit Cell Volume: 182.84111873344276
  • Molar Volume: 15.729927910409502
  • Full Formula: Mg1 Al2 Se4
  • Reduced Formula: Mg(AlSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -31.63112908
  • Final energy per atom: -4.518732725714286
  • 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.