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  1. Third-Parties
  2. MatprojStructure
  3. mp-673834

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-673834
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Mg', 'Al', 'Se']
  • Chemical System: Al-Mg-Se
  • Density: 3.2799246672416027
  • Atomic Density: 0.036706421982772804
  • Unit Cell Volume: 1634.5913537462036
  • Molar Volume: 16.40623202889765
  • Full Formula: Mg20 Al8 Se32
  • Reduced Formula: Mg5(AlSe4)2
  • Formula Anonymous: A2B5C8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -237.11868649
  • Final energy per atom: -3.9519781081666663
  • 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.