Tb10OsPd5
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3296281 · Space group: P4cc (#103)
Basic Information
Formula
Tb10OsPd5
MP-ID
mp-3296281
Elements
3
Sites
32
Density
9.7337
g/cm³
Volume
788.70
ų
Cell a
11.0906
Å
Cell b
11.0906
Å
Cell c
6.4121
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4cc
Point Group
4mm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 7.97 | 11.0906 | 9.5 | (1,0,0) |
| 11.28 | 7.8422 | 11.5 | (1,1,0) |
| 15.98 | 5.5453 | 11.7 | (2,0,0) |
| 17.88 | 4.9599 | 5.1 | (2,1,0) |
| 22.67 | 3.9232 | 3.1 | (2,1,1) |
| 22.68 | 3.9211 | 4.7 | (2,2,0) |
| 25.40 | 3.5072 | 7.3 | (3,1,0) |
| 28.99 | 3.0800 | 23.5 | (1,0,2) |
| 29.02 | 3.0770 | 87.2 | (3,1,1) |
| 30.11 | 2.9677 | 3.7 | (1,1,2) |
| 32.25 | 2.7756 | 25.0 | (2,0,2) |
| 32.28 | 2.7734 | 73.9 | (3,2,1) |
| 32.29 | 2.7726 | 1.4 | (4,0,0) |
| 33.28 | 2.6925 | 82.7 | (2,1,2) |
| 34.30 | 2.6141 | 5.1 | (3,3,0) |
| 36.19 | 2.4820 | 6.9 | (2,2,2) |
| 36.21 | 2.4805 | 93.8 | (4,1,1) |
| 36.22 | 2.4799 | 100.0 | (4,2,0) |
| 37.12 | 2.4221 | 47.6 | (3,0,2) |
| 38.03 | 2.3663 | 37.7 | (3,1,2) |
| 38.94 | 2.3130 | 36.4 | (4,2,1) |
| 40.65 | 2.2196 | 22.5 | (3,2,2) |
| 40.68 | 2.2181 | 1.4 | (5,0,0) |
| 41.52 | 2.1750 | 5.0 | (5,1,0) |
Energy Properties
Formation Energy/atom
-0.68460
eV/atom
Energy/atom
-30.68784
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.6878
eV/atom
Volume/atom
24.65
ų
c/a Ratio
0.5782
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.6076
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.002040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8305
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.9050
J/mol·K
Ω Parameter
6.3495
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.557%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5325
smaller = more stable mixing
VEC
9.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.953
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7560
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.623
Family
Tb-rich Multi-Component
Matrix Element
Tb · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296281
Reference Citation
The crystal structure and related material properties of Tb10OsPd5 were obtained from the Materials Project database (MP-ID: mp-3296281, 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_Tb10OsPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.09057958
_cell_length_b 11.09057958
_cell_length_c 6.41213844
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb10OsPd5
_chemical_formula_sum 'Tb20 Os2 Pd10'
_cell_volume 788.69915543
_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 0.29940981 0.08510335 0.37402384 1.0
Tb Tb1 1 0.29940981 0.91489665 0.87402384 1.0
Tb Tb2 1 0.70059019 0.08510335 0.87402384 1.0
Tb Tb3 1 0.70059019 0.91489665 0.37402384 1.0
Tb Tb4 1 0.58510335 0.79940981 0.87402384 1.0
Tb Tb5 1 0.58510335 0.20059019 0.37402384 1.0
Tb Tb6 1 0.41489665 0.79940981 0.37402384 1.0
Tb Tb7 1 0.41489665 0.20059019 0.87402384 1.0
Tb Tb8 1 0.20857075 0.40856842 0.62792670 1.0
Tb Tb9 1 0.20857075 0.59143158 0.12792670 1.0
Tb Tb10 1 0.79142925 0.40856842 0.12792670 1.0
Tb Tb11 1 0.79142925 0.59143158 0.62792670 1.0
Tb Tb12 1 0.90856842 0.70857075 0.12792670 1.0
Tb Tb13 1 0.90856842 0.29142925 0.62792670 1.0
Tb Tb14 1 0.09143158 0.70857075 0.62792670 1.0
Tb Tb15 1 0.09143158 0.29142925 0.12792670 1.0
Tb Tb16 1 0.00000000 0.00000000 0.49461548 1.0
Tb Tb17 1 0.00000000 0.00000000 0.99461548 1.0
Tb Tb18 1 0.50000000 0.50000000 0.99461548 1.0
Tb Tb19 1 0.50000000 0.50000000 0.49461548 1.0
Os Os20 1 0.50000000 0.00000000 0.12257521 1.0
Os Os21 1 0.50000000 0.00000000 0.62257521 1.0
Pd Pd22 1 0.84941206 0.15693100 0.24859433 1.0
Pd Pd23 1 0.84941206 0.84306900 0.74859433 1.0
Pd Pd24 1 0.15058794 0.15693100 0.74859433 1.0
Pd Pd25 1 0.15058794 0.84306900 0.24859433 1.0
Pd Pd26 1 0.65693100 0.34941206 0.74859433 1.0
Pd Pd27 1 0.65693100 0.65058794 0.24859433 1.0
Pd Pd28 1 0.34306900 0.34941206 0.24859433 1.0
Pd Pd29 1 0.34306900 0.65058794 0.74859433 1.0
Pd Pd30 1 0.00000000 0.50000000 0.88601139 1.0
Pd Pd31 1 0.00000000 0.50000000 0.38601139 1.0
