TbCd(CuPt)2
High-Entropy Materials HEAMP-ID: mp-3248641 · Space group: Imm2 (#44)
Basic Information
Formula
TbCd(CuPt)2
MP-ID
mp-3248641
Elements
4
Sites
6
Density
13.0999
g/cm³
Volume
99.96
ų
Cell a
5.1903
Å
Cell b
5.4978
Å
Cell c
5.1903
Å
α Angle
58.02
°
β Angle
58.01
°
γ Angle
58.02
°
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 |
|---|---|---|---|
| 20.30 | 4.3752 | 3.1 | (0,1,0) |
| 21.52 | 4.1298 | 34.0 | (1,0,0) |
| 23.97 | 3.7124 | 1.4 | (1,1,0) |
| 24.64 | 3.6125 | 21.1 | (1,0,1) |
| 34.65 | 2.5890 | 10.5 | (0,1,-1) |
| 34.65 | 2.5890 | 31.4 | (1,-1,0) |
| 35.68 | 2.5166 | 34.8 | (1,0,-1) |
| 39.38 | 2.2883 | 100.0 | (1,2,0) |
| 39.38 | 2.2883 | 33.3 | (2,2,1) |
| 40.91 | 2.2060 | 10.2 | (1,-1,1) |
| 40.91 | 2.2060 | 10.2 | (2,1,2) |
| 41.27 | 2.1876 | 23.5 | (0,2,0) |
| 41.27 | 2.1876 | 23.5 | (2,2,2) |
| 41.39 | 2.1815 | 28.1 | (1,1,-1) |
| 41.39 | 2.1815 | 9.4 | (2,1,0) |
| 41.57 | 2.1724 | 27.7 | (1,0,2) |
| 41.57 | 2.1724 | 27.7 | (2,0,1) |
| 43.84 | 2.0649 | 20.5 | (0,0,2) |
| 43.84 | 2.0649 | 20.5 | (2,0,0) |
| 49.08 | 1.8562 | 6.6 | (2,2,0) |
| 50.53 | 1.8062 | 3.4 | (2,0,2) |
| 53.78 | 1.7044 | 3.3 | (1,-2,0) |
| 53.78 | 1.7044 | 1.7 | (2,2,3) |
| 53.78 | 1.7044 | 1.7 | (3,2,2) |
Energy Properties
Formation Energy/atom
-0.70190
eV/atom
Energy/atom
-30.03530
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.0353
eV/atom
Volume/atom
16.66
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
Cu · 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
1.4126
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.283%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4005
smaller = more stable mixing
VEC
10.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.767
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-3248641
Reference Citation
The crystal structure and related material properties of TbCd(CuPt)2 were obtained from the Materials Project database (MP-ID: mp-3248641, 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_TbCd(CuPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19033772
_cell_length_b 5.49783548
_cell_length_c 5.19033828
_cell_angle_alpha 58.02008448
_cell_angle_beta 58.00651098
_cell_angle_gamma 58.02008378
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbCd(CuPt)2
_chemical_formula_sum 'Tb1 Cd1 Cu2 Pt2'
_cell_volume 99.96229451
_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
Tb Tb0 1 0.74643219 0.75356781 0.74643219 1.0
Cd Cd1 1 0.99099428 0.00900572 0.99099428 1.0
Cu Cu2 1 0.87852277 0.37122079 0.37903565 1.0
Cu Cu3 1 0.37903565 0.37122079 0.87852277 1.0
Pt Pt4 1 0.37750755 0.87352139 0.37750755 1.0
Pt Pt5 1 0.37750755 0.37146150 0.37750755 1.0
