Tm9Cd5Ni4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292607 · Space group: P4/mmm (#123)
Basic Information
Formula
Tm9Cd5Ni4
MP-ID
mp-3292607
Elements
3
Sites
18
Density
9.7580
g/cm³
Volume
394.33
ų
Cell a
10.5141
Å
Cell b
10.5141
Å
Cell c
3.5671
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 24.96 | 3.5671 | 2.1 | (0,0,1) |
| 25.41 | 3.5047 | 11.7 | (3,0,0) |
| 30.28 | 2.9517 | 18.5 | (2,0,1) |
| 30.66 | 2.9161 | 8.0 | (3,2,0) |
| 31.48 | 2.8419 | 12.2 | (2,1,1) |
| 34.11 | 2.6285 | 7.6 | (4,0,0) |
| 34.86 | 2.5738 | 15.3 | (2,2,1) |
| 35.19 | 2.5500 | 13.2 | (4,1,0) |
| 35.92 | 2.5000 | 100.0 | (3,0,1) |
| 36.25 | 2.4782 | 57.3 | (3,3,0) |
| 36.96 | 2.4322 | 10.6 | (3,1,1) |
| 39.93 | 2.2577 | 14.2 | (3,2,1) |
| 43.01 | 2.1028 | 2.5 | (4,3,0) |
| 46.51 | 1.9524 | 2.6 | (5,2,0) |
| 50.37 | 1.8115 | 3.2 | (4,3,1) |
| 51.17 | 1.7852 | 3.9 | (5,1,1) |
| 51.22 | 1.7836 | 14.8 | (0,0,2) |
| 52.20 | 1.7524 | 15.2 | (6,0,0) |
| 52.98 | 1.7285 | 1.3 | (6,1,0) |
| 53.50 | 1.7127 | 1.1 | (5,2,1) |
| 55.26 | 1.6624 | 2.3 | (6,2,0) |
| 55.77 | 1.6483 | 3.3 | (4,4,1) |
| 57.25 | 1.6092 | 11.7 | (5,3,1) |
| 58.02 | 1.5896 | 2.8 | (3,0,2) |
Energy Properties
Formation Energy/atom
-0.42583
eV/atom
Energy/atom
-26.23368
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.2337
eV/atom
Volume/atom
21.91
ų
c/a Ratio
0.3393
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
Tm · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0366
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6185
J/mol·K
Ω Parameter
17.9209
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.960%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2798
smaller = more stable mixing
VEC
12.056
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.701
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9436
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.465
Family
Tm-rich Multi-Component
Matrix Element
Tm · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292607
Reference Citation
The crystal structure and related material properties of Tm9Cd5Ni4 were obtained from the Materials Project database (MP-ID: mp-3292607, 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_Tm9Cd5Ni4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.51408322
_cell_length_b 10.51408322
_cell_length_c 3.56711416
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm9Cd5Ni4
_chemical_formula_sum 'Tm9 Cd5 Ni4'
_cell_volume 394.33000884
_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 0.32542032 0.32542032 0.50000000 1.0
Tm Tm1 1 0.67457968 0.67457968 0.50000000 1.0
Tm Tm2 1 0.32542032 0.67457968 0.50000000 1.0
Tm Tm3 1 0.67457968 0.32542032 0.50000000 1.0
Tm Tm4 1 0.00000000 0.28413121 0.50000000 1.0
Tm Tm5 1 0.00000000 0.71586879 0.50000000 1.0
Tm Tm6 1 0.28413121 0.00000000 0.50000000 1.0
Tm Tm7 1 0.71586879 0.00000000 0.50000000 1.0
Tm Tm8 1 0.00000000 0.00000000 0.00000000 1.0
Cd Cd9 1 0.50000000 0.14510496 0.00000000 1.0
Cd Cd10 1 0.50000000 0.85489504 0.00000000 1.0
Cd Cd11 1 0.14510496 0.50000000 0.00000000 1.0
Cd Cd12 1 0.85489504 0.50000000 0.00000000 1.0
Cd Cd13 1 0.50000000 0.50000000 0.00000000 1.0
Ni Ni14 1 0.18915934 0.18915934 0.00000000 1.0
Ni Ni15 1 0.81084066 0.81084066 0.00000000 1.0
Ni Ni16 1 0.18915934 0.81084066 0.00000000 1.0
Ni Ni17 1 0.81084066 0.18915934 0.00000000 1.0
