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  1. Third-Parties
  2. MatprojStructure
  3. mp-17216

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-17216
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['Hf', 'Si']
  • Chemical System: Hf-Si
  • Density: 10.368252446138564
  • Atomic Density: 0.0559271651433277
  • Unit Cell Volume: 643.6943461686423
  • Molar Volume: 10.767827664010364
  • Full Formula: Hf20 Si16
  • Reduced Formula: Hf5Si4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -313.74369523
  • Final energy per atom: -8.715102645277778
  • 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.