Tb4Tm3Lu3Pb8
High-Entropy Materials HEAMP-ID: mp-3296882 · Space group: P2_1 (#4)
Basic Information
Formula
Tb4Tm3Lu3Pb8
MP-ID
mp-3296882
Elements
4
Sites
36
Density
10.8648
g/cm³
Volume
1,016.37
ų
Cell a
8.0868
Å
Cell b
8.1465
Å
Cell c
15.4277
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 11.47 | 7.7139 | 12.6 | (0,0,2) |
| 12.29 | 7.2040 | 1.2 | (0,1,1) |
| 12.29 | 7.2037 | 1.1 | (0,1,-1) |
| 15.44 | 5.7392 | 3.7 | (1,1,0) |
| 19.28 | 4.6046 | 1.3 | (1,1,2) |
| 19.28 | 4.6045 | 1.1 | (1,1,-2) |
| 21.82 | 4.0733 | 3.7 | (0,2,0) |
| 21.98 | 4.0434 | 6.1 | (2,0,0) |
| 22.73 | 3.9113 | 1.2 | (2,0,1) |
| 23.06 | 3.8569 | 5.6 | (0,0,4) |
| 23.22 | 3.8300 | 6.6 | (1,1,3) |
| 23.22 | 3.8299 | 6.8 | (1,1,-3) |
| 24.47 | 3.6378 | 2.3 | (1,2,0) |
| 24.58 | 3.6218 | 3.2 | (2,1,0) |
| 24.72 | 3.6020 | 4.3 | (0,2,2) |
| 24.72 | 3.6019 | 4.3 | (0,2,-2) |
| 24.86 | 3.5812 | 7.1 | (2,0,2) |
| 27.10 | 3.2904 | 1.3 | (1,2,2) |
| 27.10 | 3.2903 | 1.3 | (1,2,-2) |
| 27.20 | 3.2785 | 21.9 | (2,1,2) |
| 27.20 | 3.2784 | 22.0 | (2,1,-2) |
| 30.09 | 2.9699 | 100.0 | (1,2,3) |
| 30.09 | 2.9698 | 99.1 | (1,2,-3) |
| 30.18 | 2.9612 | 38.3 | (2,1,3) |
Energy Properties
Formation Energy/atom
-0.70867
eV/atom
Energy/atom
-44.86365
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-44.8637
eV/atom
Volume/atom
28.23
ų
c/a Ratio
1.9078
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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
Pb · 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
1.2919
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.7409
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
0.000%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5665
smaller = more stable mixing
VEC
6.278
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9319
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296882
Reference Citation
The crystal structure and related material properties of Tb4Tm3Lu3Pb8 were obtained from the Materials Project database (MP-ID: mp-3296882, 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_Tb4Tm3Lu3Pb8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08681234
_cell_length_b 8.14649452
_cell_length_c 15.42772034
_cell_angle_alpha 89.99775141
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb4Tm3Lu3Pb8
_chemical_formula_sum 'Tb8 Tm6 Lu6 Pb16'
_cell_volume 1016.36544751
_cell_formula_units_Z 2
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 0.53722337 0.32436436 0.89998274 1.0
Tb Tb1 1 0.03722337 0.17563564 0.60001726 1.0
Tb Tb2 1 0.46302753 0.67659523 0.40081724 1.0
Tb Tb3 1 0.96302753 0.82340477 0.09918276 1.0
Tb Tb4 1 0.46224242 0.67604344 0.09966470 1.0
Tb Tb5 1 0.96224242 0.82395656 0.40033530 1.0
Tb Tb6 1 0.53756725 0.32404217 0.59968948 1.0
Tb Tb7 1 0.03756725 0.17595783 0.90031052 1.0
Tm Tm8 1 0.37434934 0.84300722 0.87846101 1.0
Tm Tm9 1 0.87434934 0.65699278 0.62153899 1.0
Tm Tm10 1 0.62578133 0.15741574 0.37840193 1.0
Tm Tm11 1 0.12578133 0.34258426 0.12159807 1.0
Tm Tm12 1 0.62637547 0.15694916 0.12105318 1.0
Tm Tm13 1 0.12637547 0.34305084 0.37894682 1.0
Lu Lu14 1 0.37361173 0.84347821 0.62227825 1.0
Lu Lu15 1 0.87361173 0.65652179 0.87772175 1.0
Lu Lu16 1 0.20662906 0.50558523 0.75003546 1.0
Lu Lu17 1 0.70662906 0.99441477 0.74996454 1.0
Lu Lu18 1 0.79338437 0.49482020 0.24981114 1.0
Lu Lu19 1 0.29338437 0.00517980 0.25018886 1.0
Pb Pb20 1 0.28344037 0.03436930 0.04359576 1.0
Pb Pb21 1 0.78344037 0.46563070 0.45640424 1.0
Pb Pb22 1 0.71532809 0.96530088 0.54379147 1.0
Pb Pb23 1 0.21532809 0.53469912 0.95620853 1.0
Pb Pb24 1 0.71768711 0.96440694 0.95600936 1.0
Pb Pb25 1 0.21768711 0.53559306 0.54399064 1.0
Pb Pb26 1 0.28336645 0.03355675 0.45717042 1.0
Pb Pb27 1 0.78336645 0.46644325 0.04282958 1.0
Pb Pb28 1 0.56796841 0.62966340 0.74973411 1.0
Pb Pb29 1 0.06796841 0.87033660 0.75026589 1.0
Pb Pb30 1 0.43202028 0.37052614 0.24984402 1.0
Pb Pb31 1 0.93202028 0.12947386 0.25015598 1.0
Pb Pb32 1 0.34971712 0.15547160 0.74983114 1.0
Pb Pb33 1 0.84971712 0.34452840 0.75016886 1.0
Pb Pb34 1 0.65028130 0.84442276 0.24997268 1.0
Pb Pb35 1 0.15028130 0.65557724 0.25002732 1.0
