DyZn2CdPt2
High-Entropy Materials HEAMP-ID: mp-3248898 · Space group: Imm2 (#44)
Basic Information
Formula
DyZn2CdPt2
MP-ID
mp-3248898
Elements
4
Sites
6
Density
12.7450
g/cm³
Volume
103.70
ų
Cell a
5.1616
Å
Cell b
5.2441
Å
Cell c
5.2441
Å
α Angle
63.66
°
β Angle
60.52
°
γ Angle
60.52
°
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 |
|---|---|---|---|
| 20.18 | 4.4008 | 5.2 | (0,1,0) |
| 21.12 | 4.2075 | 53.9 | (1,1,1) |
| 23.58 | 3.7738 | 1.1 | (1,0,1) |
| 23.58 | 3.7738 | 1.1 | (1,1,0) |
| 24.51 | 3.6320 | 27.5 | (0,1,1) |
| 34.27 | 2.6169 | 48.6 | (1,2,1) |
| 34.27 | 2.6169 | 16.2 | (1,0,-1) |
| 34.76 | 2.5808 | 54.5 | (2,1,1) |
| 38.97 | 2.3111 | 100.0 | (1,0,2) |
| 38.97 | 2.3111 | 50.0 | (1,2,0) |
| 38.97 | 2.3111 | 50.0 | (1,1,-1) |
| 40.52 | 2.2262 | 31.4 | (2,1,2) |
| 40.52 | 2.2262 | 31.4 | (2,2,1) |
| 40.68 | 2.2181 | 29.0 | (0,2,1) |
| 41.02 | 2.2004 | 75.6 | (0,2,0) |
| 41.18 | 2.1921 | 44.4 | (1,2,2) |
| 41.18 | 2.1921 | 44.4 | (1,-1,-1) |
| 42.99 | 2.1038 | 30.8 | (2,2,2) |
| 42.99 | 2.1038 | 30.8 | (2,0,0) |
| 48.23 | 1.8869 | 5.3 | (2,0,2) |
| 48.23 | 1.8869 | 5.3 | (2,2,0) |
| 50.24 | 1.8160 | 5.0 | (0,2,2) |
| 53.33 | 1.7179 | 4.2 | (1,1,3) |
| 53.33 | 1.7179 | 4.2 | (1,3,1) |
Energy Properties
Formation Energy/atom
-0.80739
eV/atom
Energy/atom
-29.62130
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.6213
eV/atom
Volume/atom
17.28
ų
c/a Ratio
1.0160
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
1.0885
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.929%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3773
smaller = more stable mixing
VEC
11.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-13.104
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-3248898
Reference Citation
The crystal structure and related material properties of DyZn2CdPt2 were obtained from the Materials Project database (MP-ID: mp-3248898, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_DyZn2CdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16161773
_cell_length_b 5.24413863
_cell_length_c 5.24413960
_cell_angle_alpha 63.65929888
_cell_angle_beta 60.51917201
_cell_angle_gamma 60.51919551
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyZn2CdPt2
_chemical_formula_sum 'Dy1 Zn2 Cd1 Pt2'
_cell_volume 103.69728987
_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 0.25692662 0.24307338 0.24307338 1.0
Zn Zn1 1 0.12151414 0.62925302 0.62925302 1.0
Zn Zn2 1 0.61997982 0.62925302 0.62925302 1.0
Cd Cd3 1 0.00385122 0.99614878 0.99614878 1.0
Pt Pt4 1 0.62386460 0.62663065 0.12564116 1.0
Pt Pt5 1 0.62386460 0.12564116 0.62663065 1.0
