YbZn2CdAg2
High-Entropy Materials HEAMP-ID: mp-3249216 · Space group: Imm2 (#44)
Basic Information
Formula
YbZn2CdAg2
MP-ID
mp-3249216
Elements
4
Sites
6
Density
9.6252
g/cm³
Volume
109.03
ų
Cell a
5.3475
Å
Cell b
5.2716
Å
Cell c
5.3475
Å
α Angle
60.47
°
β Angle
62.19
°
γ Angle
60.47
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
No
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 |
|---|---|---|---|
| 19.97 | 4.4453 | 9.0 | (1,0,0) |
| 20.60 | 4.3107 | 2.4 | (0,1,0) |
| 20.60 | 4.3107 | 2.4 | (1,1,1) |
| 23.33 | 3.8137 | 2.3 | (1,1,0) |
| 23.33 | 3.8137 | 2.3 | (0,1,1) |
| 23.76 | 3.7443 | 8.7 | (1,0,1) |
| 32.42 | 2.7619 | 13.9 | (1,0,-1) |
| 33.54 | 2.6718 | 100.0 | (1,-1,0) |
| 34.01 | 2.6358 | 40.0 | (1,2,1) |
| 38.72 | 2.3255 | 77.2 | (1,1,-1) |
| 38.72 | 2.3255 | 77.2 | (1,-1,-1) |
| 39.62 | 2.2747 | 49.1 | (2,0,1) |
| 39.76 | 2.2672 | 45.6 | (1,2,0) |
| 39.76 | 2.2672 | 45.6 | (0,2,1) |
| 39.96 | 2.2561 | 66.4 | (1,-1,1) |
| 40.59 | 2.2227 | 48.3 | (2,0,0) |
| 41.92 | 2.1553 | 47.3 | (0,2,0) |
| 53.19 | 1.7221 | 2.1 | (1,-2,0) |
| 53.96 | 1.6992 | 1.3 | (1,2,-1) |
| 53.96 | 1.6992 | 1.3 | (1,-2,-1) |
| 58.54 | 1.5767 | 9.9 | (3,1,0) |
| 58.54 | 1.5767 | 9.9 | (2,-1,-1) |
| 59.67 | 1.5497 | 15.3 | (3,0,1) |
| 60.57 | 1.5286 | 9.0 | (1,3,0) |
Energy Properties
Formation Energy/atom
-0.21758
eV/atom
Energy/atom
-19.74547
eV/atom
Energy above Hull
0.0363
eV/atom
Uncorrected Energy
-19.7455
eV/atom
Volume/atom
18.17
ų
c/a Ratio
1.0000
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
3.0658
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.442%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2770
smaller = more stable mixing
VEC
12.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.333
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-3249216
Reference Citation
The crystal structure and related material properties of YbZn2CdAg2 were obtained from the Materials Project database (MP-ID: mp-3249216, 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_YbZn2CdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34749211
_cell_length_b 5.27163682
_cell_length_c 5.34749124
_cell_angle_alpha 60.46815133
_cell_angle_beta 62.19459593
_cell_angle_gamma 60.46813769
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbZn2CdAg2
_chemical_formula_sum 'Yb1 Zn2 Cd1 Ag2'
_cell_volume 109.03376785
_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
Yb Yb0 1 0.75049694 0.74950306 0.75049694 1.0
Zn Zn1 1 0.37204452 0.87809068 0.37204452 1.0
Zn Zn2 1 0.37204452 0.37781928 0.37204452 1.0
Cd Cd3 1 0.00629065 0.99370935 0.00629065 1.0
Ag Ag4 1 0.87463852 0.37543832 0.37448485 1.0
Ag Ag5 1 0.37448485 0.37543832 0.87463852 1.0
