DyCu2Ni2Ag
High-Entropy Materials HEAMP-ID: mp-3248128 · Space group: Imm2 (#44)
Basic Information
Formula
DyCu2Ni2Ag
MP-ID
mp-3248128
Elements
4
Sites
6
Density
10.0545
g/cm³
Volume
85.03
ų
Cell a
4.9096
Å
Cell b
4.9332
Å
Cell c
4.9332
Å
α Angle
60.54
°
β Angle
60.16
°
γ Angle
60.16
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.96 | 4.0474 | 9.3 | (0,1,0) |
| 22.15 | 4.0128 | 11.0 | (1,1,1) |
| 25.49 | 3.4939 | 4.1 | (1,1,0) |
| 25.58 | 3.4823 | 2.2 | (0,1,1) |
| 36.12 | 2.4867 | 27.1 | (0,1,-1) |
| 36.43 | 2.4665 | 100.0 | (1,2,1) |
| 36.61 | 2.4548 | 23.2 | (2,1,1) |
| 42.78 | 2.1137 | 88.8 | (1,2,0) |
| 43.00 | 2.1037 | 44.9 | (0,2,1) |
| 43.10 | 2.0989 | 93.3 | (2,2,1) |
| 43.10 | 2.0988 | 45.3 | (1,2,2) |
| 44.79 | 2.0237 | 28.8 | (0,2,0) |
| 45.19 | 2.0064 | 25.6 | (2,2,2) |
| 57.46 | 1.6039 | 1.6 | (1,3,1) |
| 57.71 | 1.5974 | 1.8 | (2,3,2) |
| 65.16 | 1.4318 | 17.8 | (1,3,0) |
| 65.44 | 1.4263 | 8.3 | (0,3,1) |
| 65.75 | 1.4202 | 4.5 | (2,3,3) |
| 65.75 | 1.4202 | 4.5 | (2,-1,-1) |
| 65.79 | 1.4195 | 12.9 | (3,3,2) |
| 65.79 | 1.4195 | 4.3 | (3,1,0) |
| 69.70 | 1.3491 | 10.0 | (0,3,0) |
| 69.77 | 1.3479 | 10.5 | (2,0,3) |
| 69.77 | 1.3479 | 10.5 | (2,3,0) |
Energy Properties
Formation Energy/atom
-0.27447
eV/atom
Energy/atom
-16.77359
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.7736
eV/atom
Volume/atom
14.17
ų
c/a Ratio
1.0048
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
Cu · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0548
J/mol·K
Ω Parameter
3.1392
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.287%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2573
smaller = more stable mixing
VEC
10.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
5.333
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9591
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3248128
Reference Citation
The crystal structure and related material properties of DyCu2Ni2Ag were obtained from the Materials Project database (MP-ID: mp-3248128, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_DyCu2Ni2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90962419
_cell_length_b 4.93317967
_cell_length_c 4.93317997
_cell_angle_alpha 60.53938589
_cell_angle_beta 60.15782036
_cell_angle_gamma 60.15782631
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyCu2Ni2Ag
_chemical_formula_sum 'Dy1 Cu2 Ni2 Ag1'
_cell_volume 85.02892132
_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 0.99665952 0.00334048 0.00334048 1.0
Cu Cu1 1 0.12893430 0.62301335 0.62301335 1.0
Cu Cu2 1 0.62503900 0.62301335 0.62301335 1.0
Ni Ni3 1 0.62509643 0.62400169 0.12580545 1.0
Ni Ni4 1 0.62509643 0.12580545 0.62400169 1.0
Ag Ag5 1 0.24917432 0.25082568 0.25082568 1.0
