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  1. Third-Parties
  2. MatprojStructure
  3. mp-1184744

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-1184744
  • 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: 29
  • Number of elements: 3
  • Element list: ['Hf', 'Mg', 'Al']
  • Chemical System: Al-Hf-Mg
  • Density: 2.572583633257757
  • Atomic Density: 0.050415994712723025
  • Unit Cell Volume: 575.2142780331087
  • Molar Volume: 11.944901205093645
  • Full Formula: Hf1 Mg16 Al12
  • Reduced Formula: Hf(Mg4Al3)4
  • Formula Anonymous: AB12C16
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -81.53832293
  • Final energy per atom: -2.8116663079310347
  • 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.