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Hf8Fe8Si13Ge

High-Entropy Materials HEA

MP-ID: mp-3292353 · Space group: I4mm (#107)

Basic Information

Formula
Hf8Fe8Si13Ge
MP-ID
mp-3292353
Elements
4
Sites
30
Density
9.1846
g/cm³
Volume
418.08
ų
Cell a
4.9510
Å
Cell b
9.5169
Å
Cell c
9.5169
Å
α Angle
86.12
°
β Angle
74.92
°
γ Angle
74.92
°
Space Group
I4mm
Point Group
4mm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
9.62 9.1893 58.1 (0,1,0)
13.63 6.4978 2.1 (0,1,1)
19.32 4.5946 7.5 (0,0,2)
19.32 4.5946 7.5 (0,2,0)
21.62 4.1096 10.0 (0,2,1)
23.61 3.7689 2.3 (1,1,-1)
27.36 3.2602 32.7 (1,2,-1)
27.45 3.2489 7.3 (0,2,2)
29.15 3.0631 2.4 (0,3,0)
30.68 2.9140 53.8 (1,1,-2)
33.71 2.6588 29.8 (1,2,-2)
33.71 2.6588 9.9 (1,-1,3)
35.21 2.5486 8.4 (0,3,2)
36.29 2.4755 18.3 (2,1,1)
37.63 2.3903 10.5 (2,2,1)
39.14 2.3013 100.0 (1,0,-3)
39.14 2.3013 33.3 (1,-2,3)
39.22 2.2973 32.0 (0,4,0)
40.47 2.2287 4.2 (0,4,1)
41.43 2.1793 15.0 (2,1,-1)
41.63 2.1693 1.2 (1,-1,-3)
41.70 2.1659 34.0 (0,3,3)
42.64 2.1205 56.0 (2,2,-1)
42.64 2.1205 8.0 (2,-1,2)
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Energy Properties

Formation Energy/atom
-0.61811
eV/atom
Energy/atom
-20.76642
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.7664
eV/atom
Volume/atom
13.94
ų
c/a Ratio
1.9222

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
9.1434
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.021870
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.433
Element Family
Metalloid-Nonmetal
Solute Fraction
0.567
Interstitial Fraction
0.433

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1807
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.8162
J/mol·K
Ω Parameter
0.3615
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.276%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2590
smaller = more stable mixing
VEC
5.067
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-52.213
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8517
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3292353
Reference Citation

The crystal structure and related material properties of Hf8Fe8Si13Ge were obtained from the Materials Project database (MP-ID: mp-3292353, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Hf8Fe8Si13Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95103215
_cell_length_b   9.51685681
_cell_length_c   9.51685728
_cell_angle_alpha   86.12029002
_cell_angle_beta   74.92287432
_cell_angle_gamma   74.92286794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf8Fe8Si13Ge
_chemical_formula_sum   'Hf8 Fe8 Si13 Ge1'
_cell_volume   418.07697494
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Hf  Hf0  1  0.13684427  1.00000000  0.72336613  1.0
  Hf  Hf1  1  0.86021040  0.00000000  0.27663387  1.0
  Hf  Hf2  1  0.86021040  0.27663387  0.00000000  1.0
  Hf  Hf3  1  0.13684427  0.72336613  1.00000000  1.0
  Hf  Hf4  1  0.50165797  0.19688176  0.80311824  1.0
  Hf  Hf5  1  0.50165797  0.80311824  0.19688176  1.0
  Hf  Hf6  1  0.30477621  0.19688176  0.19688176  1.0
  Hf  Hf7  1  0.69853973  0.80311824  0.80311824  1.0
  Fe  Fe8  1  0.39839030  0.49980803  0.20331204  1.0
  Fe  Fe9  1  0.10151137  0.50019197  0.79668796  1.0
  Fe  Fe10  1  0.10151137  0.79668796  0.50019197  1.0
  Fe  Fe11  1  0.39839030  0.20331204  0.49980803  1.0
  Fe  Fe12  1  0.60170334  0.79668796  0.49980803  1.0
  Fe  Fe13  1  0.89819833  0.20331204  0.50019197  1.0
  Fe  Fe14  1  0.89819833  0.50019197  0.20331204  1.0
  Fe  Fe15  1  0.60170334  0.49980803  0.79668796  1.0
  Si  Si16  1  0.29000505  0.00000000  0.41831149  1.0
  Si  Si17  1  0.70831654  1.00000000  0.58168851  1.0
  Si  Si18  1  0.70831654  0.58168851  1.00000000  1.0
  Si  Si19  1  0.29000505  0.41831149  0.00000000  1.0
  Si  Si20  1  0.00098292  0.29753086  0.70246914  1.0
  Si  Si21  1  0.00098292  0.70246914  0.29753086  1.0
  Si  Si22  1  0.70345207  0.29753086  0.29753086  1.0
  Si  Si23  1  0.29851378  0.70246914  0.70246914  1.0
  Si  Si24  1  0.49972346  0.40911509  0.59088491  1.0
  Si  Si25  1  0.49972346  0.59088491  0.40911509  1.0
  Si  Si26  1  0.09060736  0.40911509  0.40911509  1.0
  Si  Si27  1  0.90883855  0.59088491  0.59088491  1.0
  Si  Si28  1  0.75010921  1.00000000  0.00000000  1.0
  Ge  Ge29  1  0.25007620  0.00000000  1.00000000  1.0
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