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Dy2B6Ir7Rh2

High-Entropy Materials HEA

MP-ID: mp-3254805 · Space group: Cmmm (#65)

Basic Information

Formula
Dy2B6Ir7Rh2
MP-ID
mp-3254805
Elements
4
Sites
17
Density
13.8043
g/cm³
Volume
233.51
ų
Cell a
5.5922
Å
Cell b
5.5923
Å
Cell c
8.6033
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.79
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
No
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
10.28 8.6033 15.5 (0,0,0,1)
18.28 4.8536 2.3 (0,1,-1,0)
18.28 4.8534 2.3 (1,0,-1,0)
18.34 4.8378 32.5 (1,-1,0,0)
20.65 4.3017 3.0 (0,0,0,2)
21.07 4.2168 8.5 (1,-1,0,1)
27.71 3.2193 15.8 (0,1,-1,2)
27.71 3.2192 15.8 (1,0,-1,2)
27.75 3.2146 4.9 (1,-1,0,2)
31.19 2.8678 71.0 (0,0,0,3)
31.90 2.8052 5.8 (1,1,-2,0)
33.60 2.6670 2.7 (1,1,-2,1)
36.39 2.4690 24.9 (0,1,-1,3)
36.39 2.4690 24.9 (1,0,-1,3)
36.42 2.4669 57.9 (1,-1,0,3)
37.04 2.4268 100.0 (0,2,-2,0)
37.05 2.4267 100.0 (2,0,-2,0)
37.17 2.4189 99.1 (2,-2,0,0)
38.31 2.3497 2.1 (1,1,-2,2)
38.40 2.3444 6.8 (1,-2,1,2)
38.40 2.3444 6.8 (2,-1,-1,2)
38.55 2.3356 1.4 (0,2,-2,1)
38.55 2.3356 1.4 (2,0,-2,1)
38.67 2.3286 1.4 (2,-2,0,1)
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Energy Properties

Formation Energy/atom
-
eV/atom
Energy/atom
-
eV/atom
Energy above Hull
-
eV/atom
Uncorrected Energy
-
eV/atom
Volume/atom
13.74
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
Ir · 0.412
Element Family
5d-TM
Solute Fraction
0.588
Interstitial Fraction
0.353

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2365
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2801
J/mol·K
Ω Parameter
2.1518
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
22.574%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3105
smaller = more stable mixing
VEC
7.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.550
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8919
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3254805
Reference Citation

The crystal structure and related material properties of Dy2B6Ir7Rh2 were obtained from the Materials Project database (MP-ID: mp-3254805, 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_Dy2B6Ir7Rh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59217693
_cell_length_b   5.59232522
_cell_length_c   8.60329722
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.78503912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2B6Ir7Rh2
_chemical_formula_sum   'Dy2 B6 Ir7 Rh2'
_cell_volume   233.51002574
_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  0.00000000  0.00000000  0.70137451  1.0
  Dy  Dy1  1  0.00000000  0.00000000  0.29862549  1.0
  B  B2  1  0.66700625  0.33297266  0.00000000  1.0
  B  B3  1  0.33299375  0.66702734  0.00000000  1.0
  B  B4  1  0.66659543  0.33339358  0.66784955  1.0
  B  B5  1  0.33340457  0.66660642  0.66784955  1.0
  B  B6  1  0.33340457  0.66660642  0.33215045  1.0
  B  B7  1  0.66659543  0.33339358  0.33215045  1.0
  Ir  Ir8  1  0.50000000  0.00000000  0.83627235  1.0
  Ir  Ir9  1  0.00000000  0.50000000  0.83627699  1.0
  Ir  Ir10  1  0.50000000  0.00000000  0.16372765  1.0
  Ir  Ir11  1  0.00000000  0.50000000  0.16372301  1.0
  Ir  Ir12  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir13  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir14  1  0.00000000  0.50000000  0.50000000  1.0
  Rh  Rh15  1  0.50000000  0.50000000  0.83673531  1.0
  Rh  Rh16  1  0.50000000  0.50000000  0.16326469  1.0
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