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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224329

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-1224329
  • 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: 6
  • Number of elements: 3
  • Element list: ['Hf', 'Al', 'Si']
  • Chemical System: Al-Hf-Si
  • Density: 10.895843838790475
  • Atomic Density: 0.051194276943737016
  • Unit Cell Volume: 117.2006005006
  • Molar Volume: 11.76330855618566
  • Full Formula: Hf4 Al1 Si1
  • Reduced Formula: Hf4AlSi
  • Formula Anonymous: ABC4
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -52.00489316
  • Final energy per atom: -8.667482193333333
  • 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.