Tm10Ru5Au
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3294426 · Space group: Pc (#7)
Basic Information
Formula
Tm10Ru5Au
MP-ID
mp-3294426
Elements
3
Sites
32
Density
11.0775
g/cm³
Volume
717.03
ų
Cell a
10.7080
Å
Cell b
10.6425
Å
Cell c
6.2920
Å
α Angle
90.00
°
β Angle
89.67
°
γ Angle
90.00
°
Space Group
Pc
Point Group
m
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 |
|---|---|---|---|
| 8.26 | 10.7079 | 2.6 | (1,0,0) |
| 8.31 | 10.6425 | 1.3 | (0,1,0) |
| 11.72 | 7.5484 | 1.7 | (1,1,0) |
| 16.37 | 5.4162 | 1.8 | (0,1,1) |
| 16.56 | 5.3539 | 4.5 | (2,0,0) |
| 16.66 | 5.3213 | 3.9 | (0,2,0) |
| 18.32 | 4.8427 | 1.3 | (1,1,1) |
| 18.39 | 4.8235 | 1.0 | (1,1,-1) |
| 21.88 | 4.0630 | 2.0 | (0,2,1) |
| 23.30 | 3.8171 | 3.0 | (2,1,1) |
| 23.39 | 3.8034 | 3.9 | (1,2,1) |
| 23.42 | 3.7982 | 4.5 | (2,1,-1) |
| 23.45 | 3.7941 | 5.0 | (1,2,-1) |
| 23.57 | 3.7742 | 1.6 | (2,2,0) |
| 25.10 | 3.5475 | 1.2 | (0,3,0) |
| 26.34 | 3.3840 | 14.8 | (3,1,0) |
| 26.47 | 3.3675 | 18.5 | (1,3,0) |
| 27.51 | 3.2424 | 3.2 | (2,2,1) |
| 27.61 | 3.2308 | 3.0 | (2,2,-1) |
| 28.37 | 3.1460 | 5.0 | (0,0,2) |
| 29.55 | 3.0231 | 34.0 | (1,0,2) |
| 29.61 | 3.0169 | 46.5 | (0,1,2) |
| 29.64 | 3.0137 | 13.1 | (1,0,-2) |
| 29.91 | 2.9871 | 25.1 | (3,1,1) |
Energy Properties
Formation Energy/atom
-0.53648
eV/atom
Energy/atom
-33.59387
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.5939
eV/atom
Volume/atom
22.41
ų
c/a Ratio
0.5876
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0061
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
Tm · 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
7.1927
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.968%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4935
smaller = more stable mixing
VEC
11.313
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
Tm-rich Multi-Component
Matrix Element
Tm · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294426
Reference Citation
The crystal structure and related material properties of Tm10Ru5Au were obtained from the Materials Project database (MP-ID: mp-3294426, 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_Tm10Ru5Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.70802972
_cell_length_b 10.64252127
_cell_length_c 6.29200011
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.67048323
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm10Ru5Au
_chemical_formula_sum 'Tm20 Ru10 Au2'
_cell_volume 717.02720573
_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
Tm Tm0 1 0.28968744 0.08575264 0.37249639 1.0
Tm Tm1 1 0.28968744 0.91424736 0.87249639 1.0
Tm Tm2 1 0.69409846 0.09100889 0.86569193 1.0
Tm Tm3 1 0.69409846 0.90899111 0.36569193 1.0
Tm Tm4 1 0.57439686 0.79084835 0.87115184 1.0
Tm Tm5 1 0.57439686 0.20915165 0.37115184 1.0
Tm Tm6 1 0.40924783 0.79038979 0.37184857 1.0
Tm Tm7 1 0.40924783 0.20961021 0.87184857 1.0
Tm Tm8 1 0.21221401 0.41357674 0.62356795 1.0
Tm Tm9 1 0.21221401 0.58642326 0.12356795 1.0
Tm Tm10 1 0.79389236 0.42234714 0.13054659 1.0
Tm Tm11 1 0.79389236 0.57765286 0.63054659 1.0
Tm Tm12 1 0.92159572 0.70536141 0.13843778 1.0
Tm Tm13 1 0.92159572 0.29463859 0.63843778 1.0
Tm Tm14 1 0.09552691 0.70197114 0.62634254 1.0
Tm Tm15 1 0.09552691 0.29802886 0.12634254 1.0
Tm Tm16 1 0.00699924 0.99505290 0.50140879 1.0
Tm Tm17 1 0.00699924 0.00494710 0.00140879 1.0
Tm Tm18 1 0.50363874 0.49863121 0.00079059 1.0
Tm Tm19 1 0.50363874 0.50136879 0.50079059 1.0
Ru Ru20 1 0.14847667 0.15295423 0.74701391 1.0
Ru Ru21 1 0.14847667 0.84704577 0.24701391 1.0
Ru Ru22 1 0.65855190 0.34459961 0.74580596 1.0
Ru Ru23 1 0.65855190 0.65540039 0.24580596 1.0
Ru Ru24 1 0.34946939 0.34753778 0.24991263 1.0
Ru Ru25 1 0.34946939 0.65246222 0.74991263 1.0
Ru Ru26 1 0.49601439 0.00043850 0.12155911 1.0
Ru Ru27 1 0.49601439 0.99956150 0.62155911 1.0
Ru Ru28 1 0.00429933 0.49909637 0.87773721 1.0
Ru Ru29 1 0.00429933 0.50090363 0.37773721 1.0
Au Au30 1 0.84188976 0.15345945 0.25568718 1.0
Au Au31 1 0.84188976 0.84654055 0.75568718 1.0
