DyZn2CdIr2
High-Entropy Materials HEAMP-ID: mp-3249385 · Space group: Imm2 (#44)
Basic Information
Formula
DyZn2CdIr2
MP-ID
mp-3249385
Elements
4
Sites
6
Density
12.9169
g/cm³
Volume
101.58
ų
Cell a
5.6167
Å
Cell b
5.1860
Å
Cell c
5.1860
Å
α Angle
59.29
°
β Angle
57.21
°
γ Angle
57.21
°
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 |
|---|---|---|---|
| 20.21 | 4.3931 | 3.0 | (1,1,1) |
| 21.42 | 4.1483 | 26.9 | (0,1,0) |
| 23.49 | 3.7879 | 1.2 | (1,1,0) |
| 25.26 | 3.5253 | 10.9 | (0,1,1) |
| 34.76 | 2.5806 | 15.7 | (1,2,1) |
| 34.76 | 2.5806 | 15.7 | (1,1,2) |
| 34.98 | 2.5651 | 26.8 | (0,1,-1) |
| 38.72 | 2.3255 | 100.0 | (2,2,1) |
| 40.73 | 2.2151 | 8.1 | (1,2,0) |
| 40.73 | 2.2151 | 24.3 | (1,1,-1) |
| 41.09 | 2.1966 | 39.6 | (2,2,2) |
| 41.66 | 2.1681 | 12.5 | (1,2,2) |
| 42.30 | 2.1367 | 21.5 | (0,2,1) |
| 42.30 | 2.1367 | 21.5 | (0,1,2) |
| 43.64 | 2.0741 | 13.9 | (0,2,0) |
| 43.64 | 2.0741 | 13.9 | (0,0,2) |
| 48.04 | 1.8940 | 5.2 | (2,2,0) |
| 51.87 | 1.7627 | 2.4 | (0,2,2) |
| 53.92 | 1.7005 | 1.7 | (2,2,3) |
| 55.04 | 1.6684 | 2.0 | (2,3,1) |
| 55.04 | 1.6684 | 6.1 | (2,1,-1) |
| 55.28 | 1.6619 | 1.1 | (0,2,-1) |
| 55.28 | 1.6619 | 1.1 | (0,1,-2) |
| 58.66 | 1.5738 | 1.7 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.54362
eV/atom
Energy/atom
-29.64807
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.6481
eV/atom
Volume/atom
16.93
ų
c/a Ratio
0.9233
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
Zn · 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
3.6791
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.344%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3434
smaller = more stable mixing
VEC
10.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.576
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-3249385
Reference Citation
The crystal structure and related material properties of DyZn2CdIr2 were obtained from the Materials Project database (MP-ID: mp-3249385, 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_DyZn2CdIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61666282
_cell_length_b 5.18595571
_cell_length_c 5.18595461
_cell_angle_alpha 59.28972228
_cell_angle_beta 57.21238515
_cell_angle_gamma 57.21238981
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyZn2CdIr2
_chemical_formula_sum 'Dy1 Zn2 Cd1 Ir2'
_cell_volume 101.57962937
_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 0.23817320 0.26182680 0.26182680 1.0
Zn Zn1 1 0.62957935 0.61703760 0.12380271 1.0
Zn Zn2 1 0.62957935 0.12380271 0.61703760 1.0
Cd Cd3 1 0.99926337 0.00073663 0.00073663 1.0
Ir Ir4 1 0.12513112 0.62329813 0.62329813 1.0
Ir Ir5 1 0.62827361 0.62329813 0.62329813 1.0
