Tb8Tm12Ga13Sn3
High-Entropy Materials HEAMP-ID: mp-3292413 · Space group: P1 (#1)
Basic Information
Formula
Tb8Tm12Ga13Sn3
MP-ID
mp-3292413
Elements
4
Sites
36
Density
8.5578
g/cm³
Volume
885.04
ų
Cell a
7.4588
Å
Cell b
7.9098
Å
Cell c
15.0014
Å
α Angle
90.12
°
β Angle
89.79
°
γ Angle
90.07
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 11.80 | 7.5006 | 7.4 | (0,0,2) |
| 12.64 | 7.0029 | 2.5 | (0,1,-1) |
| 12.66 | 6.9906 | 3.7 | (0,1,1) |
| 16.32 | 5.4299 | 6.9 | (1,-1,0) |
| 16.34 | 5.4232 | 6.7 | (1,1,0) |
| 17.39 | 5.0991 | 1.1 | (1,-1,-1) |
| 17.39 | 5.0983 | 1.5 | (1,1,-1) |
| 21.00 | 4.2307 | 1.4 | (0,1,-3) |
| 22.48 | 3.9549 | 1.9 | (0,2,0) |
| 23.72 | 3.7503 | 13.7 | (0,0,4) |
| 23.86 | 3.7294 | 1.4 | (2,0,0) |
| 24.15 | 3.6859 | 2.2 | (1,-1,3) |
| 24.20 | 3.6784 | 2.7 | (1,1,3) |
| 24.22 | 3.6741 | 1.6 | (1,1,-3) |
| 24.25 | 3.6708 | 2.0 | (1,-1,-3) |
| 24.62 | 3.6161 | 1.2 | (2,0,-1) |
| 25.44 | 3.5015 | 5.2 | (0,2,-2) |
| 25.48 | 3.4959 | 12.2 | (1,-2,0) |
| 25.48 | 3.4953 | 5.2 | (0,2,2) |
| 25.51 | 3.4923 | 14.4 | (1,2,0) |
| 26.15 | 3.4074 | 8.4 | (1,-2,1) |
| 26.20 | 3.4020 | 7.4 | (1,-2,-1) |
| 26.20 | 3.4015 | 8.1 | (1,2,-1) |
| 26.20 | 3.4012 | 12.6 | (1,2,1) |
Energy Properties
Formation Energy/atom
-0.75189
eV/atom
Energy/atom
-25.59241
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.5924
eV/atom
Volume/atom
24.58
ų
c/a Ratio
2.0112
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0083
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.361
Element Family
PostTransition-Noble
Solute Fraction
0.639
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2753
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.6031
J/mol·K
Ω Parameter
98.6120
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.889%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3290
smaller = more stable mixing
VEC
7.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.120
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9200
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292413
Reference Citation
The crystal structure and related material properties of Tb8Tm12Ga13Sn3 were obtained from the Materials Project database (MP-ID: mp-3292413, 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_Tb8Tm12Ga13Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45877163
_cell_length_b 7.90982951
_cell_length_c 15.00135526
_cell_angle_alpha 90.12272431
_cell_angle_beta 89.79181196
_cell_angle_gamma 90.07158594
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb8Tm12Ga13Sn3
_chemical_formula_sum 'Tb8 Tm12 Ga13 Sn3'
_cell_volume 885.03558216
_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 0.48351917 0.31621350 0.90610902 1.0
Tb Tb1 1 0.98302506 0.18117917 0.59600507 1.0
Tb Tb2 1 0.51734831 0.67936762 0.40467969 1.0
Tb Tb3 1 0.01798612 0.82193688 0.09384711 1.0
Tb Tb4 1 0.50572167 0.68983801 0.09463898 1.0
Tb Tb5 1 0.00162612 0.81497174 0.40125862 1.0
Tb Tb6 1 0.49753394 0.31519825 0.59953331 1.0
Tb Tb7 1 0.98899676 0.17876162 0.90466398 1.0
Tm Tm8 1 0.32832089 0.82655358 0.87575613 1.0
Tm Tm9 1 0.82184387 0.67571545 0.62602867 1.0
Tm Tm10 1 0.67832629 0.17504578 0.37442564 1.0
Tm Tm11 1 0.18026939 0.32274125 0.12382933 1.0
Tm Tm12 1 0.66564830 0.16326908 0.12599993 1.0
Tm Tm13 1 0.16164379 0.32758141 0.36816150 1.0
Tm Tm14 1 0.33923975 0.82795823 0.63204263 1.0
Tm Tm15 1 0.83128410 0.68432825 0.87285268 1.0
Tm Tm16 1 0.16558360 0.48414087 0.75320578 1.0
Tm Tm17 1 0.66895708 0.01820928 0.75320953 1.0
Tm Tm18 1 0.83084496 0.51428578 0.24947836 1.0
Tm Tm19 1 0.33179829 0.98291876 0.24848369 1.0
Ga Ga20 1 0.34102099 0.03104144 0.03888136 1.0
Ga Ga21 1 0.83349993 0.46758905 0.45891400 1.0
Ga Ga22 1 0.66760834 0.96769742 0.54124285 1.0
Ga Ga23 1 0.16596075 0.53245430 0.95857296 1.0
Ga Ga24 1 0.65860062 0.97035082 0.95922837 1.0
Ga Ga25 1 0.53241229 0.60513955 0.75407101 1.0
Ga Ga26 1 0.03365069 0.89435747 0.74785030 1.0
Ga Ga27 1 0.46815827 0.39033989 0.25183813 1.0
Ga Ga28 1 0.96694900 0.10589433 0.24575355 1.0
Ga Ga29 1 0.27890950 0.12652482 0.75013582 1.0
Ga Ga30 1 0.77984415 0.37704198 0.75144898 1.0
Ga Ga31 1 0.72025842 0.87283889 0.25017270 1.0
Ga Ga32 1 0.22110547 0.62437234 0.24893212 1.0
Sn Sn33 1 0.16823503 0.53373033 0.53854075 1.0
Sn Sn34 1 0.33181571 0.03363993 0.46200915 1.0
Sn Sn35 1 0.83245235 0.46677294 0.03819530 1.0
