Tb6Al24Co7Ru
High-Entropy Materials HEAMP-ID: mp-3293111 · Space group: P-3m1 (#164)
Basic Information
Formula
Tb6Al24Co7Ru
MP-ID
mp-3293111
Elements
4
Sites
38
Density
5.8731
g/cm³
Volume
597.90
ų
Cell a
8.6300
Å
Cell b
8.6300
Å
Cell c
9.2701
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 15.23 | 5.8183 | 20.5 | (0,1,-1,1) |
| 15.23 | 5.8183 | 41.0 | (1,0,-1,1) |
| 19.15 | 4.6350 | 7.9 | (0,0,0,2) |
| 20.58 | 4.3150 | 3.6 | (2,-1,-1,0) |
| 25.70 | 3.4659 | 90.6 | (2,0,-2,1) |
| 28.26 | 3.1582 | 13.0 | (2,-1,-1,2) |
| 30.73 | 2.9092 | 74.3 | (2,0,-2,2) |
| 31.32 | 2.8556 | 20.6 | (1,0,-1,3) |
| 31.68 | 2.8248 | 38.8 | (3,-1,-2,0) |
| 33.15 | 2.7021 | 2.5 | (3,-1,-2,1) |
| 36.05 | 2.4913 | 7.0 | (3,0,-3,0) |
| 37.28 | 2.4122 | 21.2 | (2,1,-3,2) |
| 37.28 | 2.4122 | 21.2 | (3,-1,-2,2) |
| 37.38 | 2.4059 | 48.2 | (3,0,-3,1) |
| 37.78 | 2.3813 | 100.0 | (2,0,-2,3) |
| 38.86 | 2.3175 | 40.2 | (0,0,0,4) |
| 41.14 | 2.1944 | 17.3 | (3,0,-3,2) |
| 41.87 | 2.1575 | 62.0 | (2,2,-4,0) |
| 41.87 | 2.1575 | 31.0 | (4,-2,-2,0) |
| 43.40 | 2.0849 | 5.3 | (3,-1,-2,3) |
| 46.09 | 1.9695 | 2.8 | (2,0,-2,4) |
| 46.84 | 1.9394 | 23.3 | (3,0,-3,3) |
| 49.78 | 1.8316 | 3.8 | (4,0,-4,1) |
| 50.73 | 1.7995 | 3.4 | (1,0,-1,5) |
Energy Properties
Formation Energy/atom
-0.58492
eV/atom
Energy/atom
-12.87421
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.8742
eV/atom
Volume/atom
15.73
ų
c/a Ratio
1.0742
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.3580
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.002270
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.632
Element Family
PostTransition-Noble
Solute Fraction
0.368
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9890
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2228
J/mol·K
Ω Parameter
1.0525
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.294%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2518
smaller = more stable mixing
VEC
5.184
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.696
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7134
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293111
Reference Citation
The crystal structure and related material properties of Tb6Al24Co7Ru were obtained from the Materials Project database (MP-ID: mp-3293111, 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_Tb6Al24Co7Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62995513
_cell_length_b 8.62995566
_cell_length_c 9.27008138
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999422
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb6Al24Co7Ru
_chemical_formula_sum 'Tb6 Al24 Co7 Ru1'
_cell_volume 597.90378949
_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 0.19330254 0.38660307 0.24971966 1.0
Tb Tb1 1 0.80669746 0.61339693 0.75028034 1.0
Tb Tb2 1 0.61339693 0.80669746 0.24971966 1.0
Tb Tb3 1 0.38660307 0.19330254 0.75028034 1.0
Tb Tb4 1 0.19330254 0.80669746 0.24971966 1.0
Tb Tb5 1 0.80669746 0.19330254 0.75028034 1.0
Al Al6 1 0.33333300 0.66666700 0.01722870 1.0
Al Al7 1 0.66666700 0.33333300 0.98277130 1.0
Al Al8 1 0.66666700 0.33333300 0.51625673 1.0
Al Al9 1 0.33333300 0.66666700 0.48374327 1.0
Al Al10 1 0.16329973 0.32659745 0.57451864 1.0
Al Al11 1 0.83670027 0.67340255 0.42548136 1.0
Al Al12 1 0.67340255 0.83670027 0.57451864 1.0
Al Al13 1 0.83519153 0.67038506 0.07543839 1.0
Al Al14 1 0.32659745 0.16329973 0.42548136 1.0
Al Al15 1 0.16480847 0.32961494 0.92456161 1.0
Al Al16 1 0.16329973 0.83670027 0.57451864 1.0
Al Al17 1 0.32961494 0.16480847 0.07543839 1.0
Al Al18 1 0.83670027 0.16329973 0.42548136 1.0
Al Al19 1 0.67038506 0.83519153 0.92456161 1.0
Al Al20 1 0.83519153 0.16480847 0.07543839 1.0
Al Al21 1 0.16480847 0.83519153 0.92456161 1.0
Al Al22 1 0.56010724 0.12021547 0.25019710 1.0
Al Al23 1 0.43989276 0.87978453 0.74980290 1.0
Al Al24 1 0.87978453 0.43989276 0.25019710 1.0
Al Al25 1 0.12021547 0.56010724 0.74980290 1.0
Al Al26 1 0.56010724 0.43989276 0.25019710 1.0
Al Al27 1 0.43989276 0.56010724 0.74980290 1.0
Al Al28 1 0.00000000 0.00000000 0.25640234 1.0
Al Al29 1 0.00000000 0.00000000 0.74359766 1.0
Co Co30 1 0.50000000 0.00000000 0.00000000 1.0
Co Co31 1 0.00000000 0.50000000 0.00000000 1.0
Co Co32 1 0.50000000 0.00000000 0.50000000 1.0
Co Co33 1 0.50000000 0.50000000 0.00000000 1.0
Co Co34 1 0.00000000 0.50000000 0.50000000 1.0
Co Co35 1 0.50000000 0.50000000 0.50000000 1.0
Co Co36 1 0.00000000 0.00000000 0.50000000 1.0
Ru Ru37 1 0.00000000 0.00000000 0.00000000 1.0
