TmZn2CdPt2
High-Entropy Materials HEAMP-ID: mp-3252549 · Space group: Imm2 (#44)
Basic Information
Formula
TmZn2CdPt2
MP-ID
mp-3252549
Elements
4
Sites
6
Density
13.0176
g/cm³
Volume
102.35
ų
Cell a
5.1241
Å
Cell b
5.2225
Å
Cell c
5.2225
Å
α Angle
63.80
°
β Angle
60.62
°
γ Angle
60.62
°
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 |
|---|---|---|---|
| 20.23 | 4.3889 | 6.6 | (0,1,0) |
| 21.25 | 4.1820 | 51.4 | (1,1,1) |
| 23.69 | 3.7554 | 2.9 | (1,1,0) |
| 24.60 | 3.6185 | 26.7 | (0,1,1) |
| 34.42 | 2.6057 | 67.2 | (1,0,-1) |
| 35.02 | 2.5621 | 54.6 | (2,1,1) |
| 39.11 | 2.3035 | 100.0 | (1,1,-1) |
| 39.11 | 2.3035 | 100.0 | (1,0,2) |
| 40.78 | 2.2126 | 63.8 | (2,1,0) |
| 40.82 | 2.2105 | 29.1 | (0,2,1) |
| 41.13 | 2.1945 | 75.6 | (0,2,0) |
| 41.37 | 2.1826 | 89.4 | (1,2,2) |
| 43.27 | 2.0910 | 59.5 | (2,2,2) |
| 48.48 | 1.8777 | 4.8 | (2,2,0) |
| 48.48 | 1.8777 | 4.8 | (2,0,2) |
| 50.44 | 1.8092 | 4.8 | (0,2,2) |
| 53.53 | 1.7119 | 1.9 | (1,0,-2) |
| 53.53 | 1.7119 | 5.6 | (1,3,1) |
| 54.85 | 1.6736 | 1.7 | (2,0,-1) |
| 55.10 | 1.6667 | 11.5 | (2,1,-1) |
| 55.10 | 1.6667 | 3.8 | (2,-1,1) |
| 55.26 | 1.6624 | 4.3 | (3,2,2) |
| 59.15 | 1.5620 | 3.5 | (1,1,-2) |
| 59.15 | 1.5620 | 10.4 | (1,3,0) |
Energy Properties
Formation Energy/atom
-0.80906
eV/atom
Energy/atom
-30.14617
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.1462
eV/atom
Volume/atom
17.06
ų
c/a Ratio
1.0192
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
1.1079
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.929%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3698
smaller = more stable mixing
VEC
11.500
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-3252549
Reference Citation
The crystal structure and related material properties of TmZn2CdPt2 were obtained from the Materials Project database (MP-ID: mp-3252549, 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_TmZn2CdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12409035
_cell_length_b 5.22252263
_cell_length_c 5.22252236
_cell_angle_alpha 63.80382125
_cell_angle_beta 60.62154581
_cell_angle_gamma 60.62153263
_symmetry_Int_Tables_number 1
_chemical_formula_structural TmZn2CdPt2
_chemical_formula_sum 'Tm1 Zn2 Cd1 Pt2'
_cell_volume 102.34622950
_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
Tm Tm0 1 0.25788649 0.24211351 0.24211351 1.0
Zn Zn1 1 0.12138530 0.62920122 0.62920122 1.0
Zn Zn2 1 0.62021125 0.62920122 0.62920122 1.0
Cd Cd3 1 0.00383070 0.99616930 0.99616930 1.0
Pt Pt4 1 0.62334313 0.62682107 0.12649367 1.0
Pt Pt5 1 0.62334313 0.12649367 0.62682107 1.0
