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Hf8Cd4Cu7Ir

High-Entropy Materials HEA

MP-ID: mp-3291699 · Space group: Cm (#8)

Basic Information

Formula
Hf8Cd4Cu7Ir
MP-ID
mp-3291699
Elements
4
Sites
20
Density
12.0237
g/cm³
Volume
347.28
ų
Cell a
7.1879
Å
Cell b
7.1879
Å
Cell c
6.7217
Å
α Angle
90.09
°
β Angle
90.09
°
γ Angle
90.11
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.31 7.1879 10.1 (1,0,0)
13.17 6.7217 5.9 (0,0,1)
17.43 5.0875 13.9 (1,-1,0)
17.47 5.0777 7.3 (1,1,0)
18.05 4.9135 6.6 (1,0,-1)
18.08 4.9055 3.2 (1,0,1)
21.91 4.0566 3.0 (1,-1,1)
21.96 4.0471 2.8 (1,1,1)
24.77 3.5940 12.2 (2,0,0)
26.52 3.3608 7.1 (0,0,2)
27.73 3.2170 33.6 (2,-1,0)
27.77 3.2121 31.7 (2,1,0)
28.14 3.1715 1.2 (2,0,-1)
28.18 3.1672 1.7 (2,0,1)
29.32 3.0464 1.2 (1,0,-2)
30.80 2.9026 2.9 (2,-1,-1)
30.83 2.9006 3.2 (2,1,-1)
31.90 2.8055 12.7 (1,1,-2)
31.91 2.8042 15.5 (1,-1,2)
31.97 2.7996 12.6 (1,1,2)
35.28 2.5438 29.5 (2,-2,0)
35.35 2.5389 18.4 (2,2,0)
36.58 2.4568 78.7 (2,0,-2)
36.64 2.4528 77.4 (2,0,2)
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Energy Properties

Formation Energy/atom
-0.27243
eV/atom
Energy/atom
-28.76834
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.7683
eV/atom
Volume/atom
17.36
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0005
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hf · 0.400
Element Family
5d-TM
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2056
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0236
J/mol·K
Ω Parameter
0.6921
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.496%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2933
smaller = more stable mixing
VEC
8.300
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-25.105
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8697
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291699
Reference Citation

The crystal structure and related material properties of Hf8Cd4Cu7Ir were obtained from the Materials Project database (MP-ID: mp-3291699, 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_Hf8Cd4Cu7Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18791920
_cell_length_b   7.18791988
_cell_length_c   6.72167550
_cell_angle_alpha   90.09333352
_cell_angle_beta   90.09334176
_cell_angle_gamma   90.10982371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf8Cd4Cu7Ir
_chemical_formula_sum   'Hf8 Cd4 Cu7 Ir1'
_cell_volume   347.28178432
_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  0.15550363  0.15550363  0.00406449  1.0
  Hf  Hf1  1  0.85265790  0.85265790  0.99602223  1.0
  Hf  Hf2  1  0.64992774  0.34553115  0.49465201  1.0
  Hf  Hf3  1  0.34553115  0.64992774  0.49465201  1.0
  Hf  Hf4  1  0.68192462  0.31239992  0.00227953  1.0
  Hf  Hf5  1  0.31239992  0.68192462  0.00227953  1.0
  Hf  Hf6  1  0.81310436  0.81310436  0.50096203  1.0
  Hf  Hf7  1  0.18789165  0.18789165  0.49813498  1.0
  Cd  Cd8  1  0.50278674  0.99133237  0.24881085  1.0
  Cd  Cd9  1  0.49909117  0.99849935  0.74965321  1.0
  Cd  Cd10  1  0.99133237  0.50278674  0.24881085  1.0
  Cd  Cd11  1  0.99849935  0.49909117  0.74965321  1.0
  Cu  Cu12  1  0.62471273  0.62471273  0.78993354  1.0
  Cu  Cu13  1  0.63410407  0.63410407  0.20313089  1.0
  Cu  Cu14  1  0.87540776  0.12410029  0.70953685  1.0
  Cu  Cu15  1  0.87581742  0.12266679  0.29083908  1.0
  Cu  Cu16  1  0.37523325  0.37523325  0.78917526  1.0
  Cu  Cu17  1  0.12266679  0.87581742  0.29083908  1.0
  Cu  Cu18  1  0.12410029  0.87540776  0.70953685  1.0
  Ir  Ir19  1  0.37730709  0.37730709  0.22703251  1.0
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