Tb2Tm3Sn4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292728 · Space group: Pnma (#62)
Basic Information
Formula
Tb2Tm3Sn4
MP-ID
mp-3292728
Elements
3
Sites
36
Density
8.7651
g/cm³
Volume
984.75
ų
Cell a
7.9604
Å
Cell b
8.1015
Å
Cell c
15.2695
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 11.59 | 7.6347 | 4.9 | (0,0,2) |
| 12.37 | 7.1566 | 2.2 | (0,1,1) |
| 15.61 | 5.6781 | 2.5 | (1,1,0) |
| 23.09 | 3.8515 | 1.5 | (2,0,1) |
| 24.93 | 3.5724 | 7.9 | (2,1,0) |
| 25.35 | 3.5134 | 7.1 | (1,2,1) |
| 25.61 | 3.4784 | 3.7 | (2,1,1) |
| 27.57 | 3.2357 | 8.7 | (2,1,2) |
| 28.47 | 3.1354 | 4.7 | (2,0,3) |
| 30.35 | 2.9447 | 100.0 | (1,2,3) |
| 30.57 | 2.9240 | 57.7 | (2,1,3) |
| 31.30 | 2.8576 | 3.9 | (0,1,5) |
| 31.51 | 2.8391 | 30.5 | (2,2,0) |
| 32.07 | 2.7912 | 14.7 | (2,2,1) |
| 32.22 | 2.7781 | 38.1 | (0,2,4) |
| 32.50 | 2.7551 | 20.9 | (2,0,4) |
| 33.31 | 2.6896 | 32.7 | (1,1,5) |
| 33.68 | 2.6610 | 2.9 | (2,2,2) |
| 33.70 | 2.6593 | 3.7 | (0,3,1) |
| 34.18 | 2.6230 | 23.6 | (1,2,4) |
| 34.38 | 2.6084 | 54.5 | (2,1,4) |
| 35.09 | 2.5574 | 4.4 | (1,3,0) |
| 35.27 | 2.5449 | 26.4 | (0,0,6) |
| 35.59 | 2.5222 | 56.8 | (1,3,1) |
Energy Properties
Formation Energy/atom
-0.87108
eV/atom
Energy/atom
-30.51561
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.5156
eV/atom
Volume/atom
27.35
ų
c/a Ratio
1.9182
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0037
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
Sn · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0609
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8200
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.257%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3865
smaller = more stable mixing
VEC
8.111
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9656
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.567
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.444
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292728
Reference Citation
The crystal structure and related material properties of Tb2Tm3Sn4 were obtained from the Materials Project database (MP-ID: mp-3292728, 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_Tb2Tm3Sn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96041695
_cell_length_b 8.10154207
_cell_length_c 15.26945824
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb2Tm3Sn4
_chemical_formula_sum 'Tb8 Tm12 Sn16'
_cell_volume 984.75259915
_cell_formula_units_Z 4
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 0.52016582 0.32047602 0.90319114 1.0
Tb Tb1 1 0.02016582 0.17952398 0.59680886 1.0
Tb Tb2 1 0.47983418 0.67952398 0.40319114 1.0
Tb Tb3 1 0.97983418 0.82047602 0.09680886 1.0
Tb Tb4 1 0.47983418 0.67952398 0.09680886 1.0
Tb Tb5 1 0.97983418 0.82047602 0.40319114 1.0
Tb Tb6 1 0.52016582 0.32047602 0.59680886 1.0
Tb Tb7 1 0.02016582 0.17952398 0.90319114 1.0
Tm Tm8 1 0.36498547 0.83988876 0.87705142 1.0
Tm Tm9 1 0.86498547 0.66011124 0.62294858 1.0
Tm Tm10 1 0.63501453 0.16011124 0.37705142 1.0
Tm Tm11 1 0.13501453 0.33988876 0.12294858 1.0
Tm Tm12 1 0.63501453 0.16011124 0.12294858 1.0
Tm Tm13 1 0.13501453 0.33988876 0.37705142 1.0
Tm Tm14 1 0.36498547 0.83988876 0.62294858 1.0
Tm Tm15 1 0.86498547 0.66011124 0.87705142 1.0
Tm Tm16 1 0.19802471 0.50413848 0.75000000 1.0
Tm Tm17 1 0.69802471 0.99586152 0.75000000 1.0
Tm Tm18 1 0.80197529 0.49586152 0.25000000 1.0
Tm Tm19 1 0.30197529 0.00413848 0.25000000 1.0
Sn Sn20 1 0.29420221 0.03995476 0.04180952 1.0
Sn Sn21 1 0.79420221 0.46004524 0.45819048 1.0
Sn Sn22 1 0.70579779 0.96004524 0.54180952 1.0
Sn Sn23 1 0.20579779 0.53995476 0.95819048 1.0
Sn Sn24 1 0.70579779 0.96004524 0.95819048 1.0
Sn Sn25 1 0.20579779 0.53995476 0.54180952 1.0
Sn Sn26 1 0.29420221 0.03995476 0.45819048 1.0
Sn Sn27 1 0.79420221 0.46004524 0.04180952 1.0
Sn Sn28 1 0.56197523 0.62186396 0.75000000 1.0
Sn Sn29 1 0.06197523 0.87813604 0.75000000 1.0
Sn Sn30 1 0.43802477 0.37813604 0.25000000 1.0
Sn Sn31 1 0.93802477 0.12186396 0.25000000 1.0
Sn Sn32 1 0.33058741 0.14808797 0.75000000 1.0
Sn Sn33 1 0.83058741 0.35191203 0.75000000 1.0
Sn Sn34 1 0.66941259 0.85191203 0.25000000 1.0
Sn Sn35 1 0.16941259 0.64808797 0.25000000 1.0
