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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223802

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-1223802
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Hf', 'Al', 'Zn']
  • Chemical System: Al-Hf-Zn
  • Density: 8.157639077377935
  • Atomic Density: 0.058561299227521416
  • Unit Cell Volume: 102.45674326126026
  • Molar Volume: 10.283482162174847
  • Full Formula: Hf2 Al3 Zn1
  • Reduced Formula: Hf2Al3Zn
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -35.0087726
  • Final energy per atom: -5.834795433333333
  • 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.