TbCu2AgPt2
High-Entropy Materials HEAMP-ID: mp-3247208 · Space group: Imm2 (#44)
Basic Information
Formula
TbCu2AgPt2
MP-ID
mp-3247208
Elements
4
Sites
6
Density
13.2940
g/cm³
Volume
97.94
ų
Cell a
5.0120
Å
Cell b
5.1526
Å
Cell c
5.1526
Å
α Angle
63.93
°
β Angle
60.90
°
γ Angle
60.90
°
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 |
|---|---|---|---|
| 20.46 | 4.3402 | 3.0 | (0,1,0) |
| 21.64 | 4.1066 | 35.1 | (1,0,0) |
| 24.11 | 3.6910 | 1.4 | (1,1,0) |
| 24.86 | 3.5815 | 21.4 | (0,1,1) |
| 34.91 | 2.5703 | 20.7 | (1,0,-1) |
| 34.91 | 2.5703 | 20.7 | (1,2,1) |
| 35.83 | 2.5060 | 35.0 | (2,1,1) |
| 39.67 | 2.2723 | 100.0 | (1,2,0) |
| 39.67 | 2.2723 | 33.3 | (1,0,2) |
| 41.27 | 2.1874 | 20.0 | (0,2,1) |
| 41.61 | 2.1702 | 9.4 | (2,1,0) |
| 41.61 | 2.1702 | 28.1 | (2,2,1) |
| 41.62 | 2.1701 | 23.7 | (0,2,0) |
| 41.62 | 2.1701 | 23.7 | (0,0,2) |
| 41.91 | 2.1556 | 55.2 | (1,-1,-1) |
| 44.11 | 2.0533 | 20.6 | (2,0,0) |
| 44.11 | 2.0533 | 20.6 | (2,2,2) |
| 49.38 | 1.8455 | 3.4 | (2,2,0) |
| 49.38 | 1.8455 | 3.4 | (2,0,2) |
| 51.00 | 1.7908 | 3.5 | (0,2,2) |
| 54.24 | 1.6913 | 5.0 | (1,0,-2) |
| 54.24 | 1.6913 | 1.7 | (1,1,3) |
| 56.06 | 1.6405 | 7.0 | (2,1,-1) |
| 56.06 | 1.6405 | 2.3 | (2,1,3) |
Energy Properties
Formation Energy/atom
-0.66670
eV/atom
Energy/atom
-30.20859
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.2086
eV/atom
Volume/atom
16.32
ų
c/a Ratio
1.0280
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
1.3578
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.132%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3936
smaller = more stable mixing
VEC
10.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-13.111
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-3247208
Reference Citation
The crystal structure and related material properties of TbCu2AgPt2 were obtained from the Materials Project database (MP-ID: mp-3247208, 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_TbCu2AgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01200613
_cell_length_b 5.15256436
_cell_length_c 5.15256356
_cell_angle_alpha 63.93344356
_cell_angle_beta 60.89836710
_cell_angle_gamma 60.89836456
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbCu2AgPt2
_chemical_formula_sum 'Tb1 Cu2 Ag1 Pt2'
_cell_volume 97.93549683
_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 0.99570461 0.00429539 0.00429539 1.0
Cu Cu1 1 0.12954649 0.61974654 0.61974654 1.0
Cu Cu2 1 0.63096144 0.61974654 0.61974654 1.0
Ag Ag3 1 0.24021924 0.25978076 0.25978076 1.0
Pt Pt4 1 0.62678411 0.62294042 0.12349136 1.0
Pt Pt5 1 0.62678411 0.12349136 0.62294042 1.0
