Tb6Al24Os7Au
High-Entropy Materials HEAMP-ID: mp-3295211 · Space group: C2/m (#12)
Basic Information
Formula
Tb6Al24Os7Au
MP-ID
mp-3295211
Elements
4
Sites
38
Density
8.1090
g/cm³
Volume
640.89
ų
Cell a
8.8066
Å
Cell b
8.8066
Å
Cell c
9.5256
Å
α Angle
89.92
°
β Angle
90.08
°
γ Angle
119.83
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 14.86 | 5.9622 | 12.8 | (1,0,-1,-1) |
| 14.87 | 5.9574 | 13.6 | (1,0,-1,1) |
| 14.88 | 5.9552 | 6.8 | (1,-1,0,-1) |
| 14.90 | 5.9457 | 7.1 | (1,-1,0,1) |
| 18.63 | 4.7628 | 23.5 | (0,0,0,2) |
| 20.11 | 4.4146 | 1.5 | (1,1,-2,0) |
| 20.17 | 4.4033 | 3.2 | (2,-1,-1,0) |
| 23.29 | 3.8199 | 67.3 | (2,0,-2,0) |
| 23.35 | 3.8101 | 33.0 | (2,-2,0,0) |
| 25.11 | 3.5464 | 23.6 | (2,0,-2,-1) |
| 25.12 | 3.5444 | 20.9 | (2,0,-2,1) |
| 25.16 | 3.5396 | 10.2 | (2,-2,0,-1) |
| 25.19 | 3.5356 | 10.8 | (2,-2,0,1) |
| 27.55 | 3.2377 | 2.8 | (1,1,-2,2) |
| 27.57 | 3.2355 | 2.2 | (2,-1,-1,-2) |
| 27.61 | 3.2309 | 1.7 | (2,-1,-1,2) |
| 29.97 | 2.9811 | 100.0 | (2,0,-2,-2) |
| 30.00 | 2.9787 | 52.5 | (0,2,-2,-2) |
| 30.00 | 2.9787 | 52.5 | (2,0,-2,2) |
| 30.01 | 2.9776 | 52.1 | (2,-2,0,-2) |
| 30.06 | 2.9729 | 50.4 | (2,-2,0,2) |
| 30.48 | 2.9329 | 4.7 | (1,0,-1,-3) |
| 30.48 | 2.9327 | 2.4 | (1,-1,0,-3) |
| 30.50 | 2.9312 | 4.3 | (1,0,-1,3) |
Energy Properties
Formation Energy/atom
-0.69472
eV/atom
Energy/atom
-20.96868
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.9687
eV/atom
Volume/atom
16.87
ų
c/a Ratio
1.0817
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9899
μB
Mag. Ordering
FM
Mag. Sites
7
Magnetization/Volume
0.001540
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
2.3145
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.642%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3538
smaller = more stable mixing
VEC
5.079
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.297
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-3295211
Reference Citation
The crystal structure and related material properties of Tb6Al24Os7Au were obtained from the Materials Project database (MP-ID: mp-3295211, 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_Tb6Al24Os7Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80659048
_cell_length_b 8.80659151
_cell_length_c 9.52564203
_cell_angle_alpha 89.91882593
_cell_angle_beta 90.08117668
_cell_angle_gamma 119.83018375
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb6Al24Os7Au
_chemical_formula_sum 'Tb6 Al24 Os7 Au1'
_cell_volume 640.88569239
_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 0.18910134 0.38329048 0.25045800 1.0
Tb Tb1 1 0.81089866 0.61670952 0.74954200 1.0
Tb Tb2 1 0.61670952 0.81089866 0.25045800 1.0
Tb Tb3 1 0.38329048 0.18910134 0.74954200 1.0
Tb Tb4 1 0.19356683 0.80643317 0.25380485 1.0
Tb Tb5 1 0.80643317 0.19356683 0.74619515 1.0
Al Al6 1 0.32853215 0.67146785 0.01726738 1.0
Al Al7 1 0.67146785 0.32853215 0.98273262 1.0
Al Al8 1 0.66647546 0.33352454 0.51585360 1.0
Al Al9 1 0.33352454 0.66647546 0.48414640 1.0
Al Al10 1 0.16361992 0.32663499 0.57457537 1.0
Al Al11 1 0.83638008 0.67336501 0.42542463 1.0
Al Al12 1 0.67336501 0.83638008 0.57457537 1.0
Al Al13 1 0.84761084 0.67668933 0.07900662 1.0
Al Al14 1 0.32663499 0.16361992 0.42542463 1.0
Al Al15 1 0.15238916 0.32331067 0.92099338 1.0
Al Al16 1 0.16382116 0.83617884 0.57664278 1.0
Al Al17 1 0.32331067 0.15238916 0.07900662 1.0
Al Al18 1 0.83617884 0.16382116 0.42335722 1.0
Al Al19 1 0.67668933 0.84761084 0.92099338 1.0
Al Al20 1 0.83657699 0.16342301 0.07638851 1.0
Al Al21 1 0.16342301 0.83657699 0.92361149 1.0
Al Al22 1 0.56152468 0.12268290 0.24934829 1.0
Al Al23 1 0.43847532 0.87731710 0.75065171 1.0
Al Al24 1 0.87731710 0.43847532 0.24934829 1.0
Al Al25 1 0.12268290 0.56152468 0.75065171 1.0
Al Al26 1 0.56377056 0.43622944 0.25551450 1.0
Al Al27 1 0.43622944 0.56377056 0.74448550 1.0
Al Al28 1 0.99940606 0.00059394 0.25029688 1.0
Al Al29 1 0.00059394 0.99940606 0.74970312 1.0
Os Os30 1 0.50000000 0.00000000 0.00000000 1.0
Os Os31 1 0.00000000 0.50000000 0.00000000 1.0
Os Os32 1 0.50000000 0.00000000 0.50000000 1.0
Os Os33 1 0.00000000 0.50000000 0.50000000 1.0
Os Os34 1 0.50000000 0.50000000 0.50000000 1.0
Os Os35 1 0.00000000 0.00000000 0.00000000 1.0
Os Os36 1 0.00000000 0.00000000 0.50000000 1.0
Au Au37 1 0.50000000 0.50000000 0.00000000 1.0
