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Dy6Sc8Al8Ir7

High-Entropy Materials HEA

MP-ID: mp-3296231 · Space group: Fm-3m (#225)

Basic Information

Formula
Dy6Sc8Al8Ir7
MP-ID
mp-3296231
Elements
4
Sites
29
Density
8.6432
g/cm³
Volume
556.39
ų
Cell a
9.2320
Å
Cell b
9.2320
Å
Cell c
9.2320
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
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
13.56 6.5280 1.4 (1,1,0)
19.23 4.6160 11.2 (1,0,-1)
22.59 3.9366 5.2 (2,1,0)
23.61 3.7690 15.4 (2,2,2)
27.32 3.2640 67.3 (2,2,0)
29.83 2.9953 35.7 (2,0,-1)
33.63 2.6651 18.1 (3,1,0)
33.63 2.6651 9.1 (1,3,0)
35.73 2.5126 38.4 (3,2,0)
39.03 2.3080 100.0 (2,0,-2)
40.89 2.2069 4.1 (3,1,-1)
41.50 2.1760 8.8 (3,0,-1)
46.12 1.9683 29.3 (4,2,0)
48.30 1.8845 7.9 (4,4,4)
48.30 1.8845 2.6 (0,0,4)
49.88 1.8282 5.5 (3,0,-2)
50.40 1.8106 2.0 (5,3,2)
53.94 1.6998 10.1 (5,3,1)
56.38 1.6320 12.9 (4,4,0)
57.80 1.5951 11.5 (5,2,0)
57.80 1.5951 1.0 (2,2,-3)
58.28 1.5833 1.5 (5,1,0)
60.14 1.5387 15.3 (3,0,-3)
61.51 1.5076 4.1 (4,1,-2)
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Energy Properties

Formation Energy/atom
-0.90250
eV/atom
Energy/atom
-25.15943
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.1594
eV/atom
Volume/atom
19.19
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.0379
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.005460
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 0.276
Element Family
3d-TM
Solute Fraction
0.724
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3796
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.4700
J/mol·K
Ω Parameter
0.7052
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.679%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3643
smaller = more stable mixing
VEC
5.897
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-28.736
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9952
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3296231
Reference Citation

The crystal structure and related material properties of Dy6Sc8Al8Ir7 were obtained from the Materials Project database (MP-ID: mp-3296231, 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_Dy6Sc8Al8Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23204245
_cell_length_b   9.23204240
_cell_length_c   9.23204209
_cell_angle_alpha   59.99999754
_cell_angle_beta   59.99999773
_cell_angle_gamma   60.00000034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy6Sc8Al8Ir7
_chemical_formula_sum   'Dy6 Sc8 Al8 Ir7'
_cell_volume   556.38875859
_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
  Dy  Dy0  1  0.69524647  0.69524647  0.30475353  1.0
  Dy  Dy1  1  0.30475353  0.69524647  0.30475353  1.0
  Dy  Dy2  1  0.69524647  0.30475353  0.30475353  1.0
  Dy  Dy3  1  0.30475353  0.30475353  0.69524647  1.0
  Dy  Dy4  1  0.69524647  0.30475353  0.69524647  1.0
  Dy  Dy5  1  0.30475353  0.69524647  0.69524647  1.0
  Sc  Sc6  1  0.87936470  0.87936470  0.36190791  1.0
  Sc  Sc7  1  0.87936470  0.36190791  0.87936470  1.0
  Sc  Sc8  1  0.36190791  0.87936470  0.87936470  1.0
  Sc  Sc9  1  0.87936470  0.87936470  0.87936470  1.0
  Sc  Sc10  1  0.12063530  0.12063530  0.63809209  1.0
  Sc  Sc11  1  0.12063530  0.63809209  0.12063530  1.0
  Sc  Sc12  1  0.63809209  0.12063530  0.12063530  1.0
  Sc  Sc13  1  0.12063530  0.12063530  0.12063530  1.0
  Al  Al14  1  0.67014612  0.67014612  0.98956165  1.0
  Al  Al15  1  0.67014612  0.98956165  0.67014612  1.0
  Al  Al16  1  0.98956165  0.67014612  0.67014612  1.0
  Al  Al17  1  0.67014612  0.67014612  0.67014612  1.0
  Al  Al18  1  0.32985388  0.32985388  0.01043835  1.0
  Al  Al19  1  0.32985388  0.01043835  0.32985388  1.0
  Al  Al20  1  0.01043835  0.32985388  0.32985388  1.0
  Al  Al21  1  0.32985388  0.32985388  0.32985388  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir23  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir24  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir25  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir26  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.00000000  1.0
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