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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224366

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-1224366
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Hf', 'Sc', 'Si']
  • Chemical System: Hf-Sc-Si
  • Density: 9.510398938391875
  • Atomic Density: 0.05455877592690344
  • Unit Cell Volume: 183.288569622562
  • Molar Volume: 11.037895659661284
  • Full Formula: Hf5 Sc1 Si4
  • Reduced Formula: Hf5ScSi4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 83
  • Spacegroup Symbol: P4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -85.28540349
  • Final energy per atom: -8.528540349
  • 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.