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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185731

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-1185731
  • 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: 29
  • Number of elements: 3
  • Element list: ['Mg', 'Sc', 'Al']
  • Chemical System: Al-Mg-Sc
  • Density: 2.151043642284061
  • Atomic Density: 0.04958495412366542
  • Unit Cell Volume: 584.8548317232215
  • Molar Volume: 12.145096968287424
  • Full Formula: Mg16 Sc1 Al12
  • Reduced Formula: Mg16ScAl12
  • Formula Anonymous: AB12C16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -78.29185702
  • Final energy per atom: -2.699719207586207
  • 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.