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Dy2CuNi2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3245163 · Space group: Immm (#71)

Basic Information

Formula
Dy2CuNi2
MP-ID
mp-3245163
Elements
3
Sites
5
Density
9.6203
g/cm³
Volume
87.33
ų
Cell a
4.1344
Å
Cell b
5.2731
Å
Cell c
5.2221
Å
α Angle
120.32
°
β Angle
113.32
°
γ Angle
90.00
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.16 4.4046 2.4 (0,1,-1)
22.19 4.0057 2.7 (0,0,1)
27.41 3.2536 44.5 (1,1,-1)
34.00 2.6365 15.7 (0,2,-1)
35.55 2.5255 100.0 (1,-1,1)
37.76 2.3824 15.7 (0,1,-2)
37.76 2.3824 15.7 (0,1,1)
40.20 2.2432 27.6 (1,0,1)
40.98 2.2023 14.4 (0,2,-2)
40.98 2.2023 14.4 (0,2,0)
42.19 2.1421 31.5 (1,2,-2)
42.19 2.1421 10.5 (1,-2,0)
43.79 2.0672 30.6 (2,0,-1)
45.28 2.0028 10.6 (0,0,2)
56.57 1.6268 3.8 (2,2,-2)
56.57 1.6268 3.8 (2,-2,0)
56.93 1.6176 9.2 (1,3,-2)
59.17 1.5614 16.8 (2,-1,1)
60.38 1.5331 3.1 (0,1,-3)
60.38 1.5331 3.1 (0,1,2)
61.52 1.5072 17.2 (2,2,-3)
61.86 1.4999 3.5 (1,3,-3)
61.86 1.4999 10.4 (1,-3,2)
62.13 1.4940 5.5 (1,0,2)
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Energy Properties

Formation Energy/atom
-0.38483
eV/atom
Energy/atom
-20.13960
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.1396
eV/atom
Volume/atom
17.47
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
0.0000
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
Dy · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
11.2017
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.787%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3364
smaller = more stable mixing
VEC
10.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.280
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.468
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.400

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3245163
Reference Citation

The crystal structure and related material properties of Dy2CuNi2 were obtained from the Materials Project database (MP-ID: mp-3245163, 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_Dy2CuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13443673
_cell_length_b   5.27305358
_cell_length_c   5.22206441
_cell_angle_alpha   120.32353300
_cell_angle_beta   113.31976302
_cell_angle_gamma   89.99999720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2CuNi2
_chemical_formula_sum   'Dy2 Cu1 Ni2'
_cell_volume   87.32775720
_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  0.79681507  0.29681507  0.59363014  1.0
  Dy  Dy1  1  0.20318493  0.70318493  0.40636986  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.26781255  1.00000000  1.0
  Ni  Ni4  1  0.50000000  0.73218745  0.00000000  1.0
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