Tm8Ti7Ge16Mo5
High-Entropy Materials HEAMP-ID: mp-3294574 · Space group: P1 (#1)
Basic Information
Formula
Tm8Ti7Ge16Mo5
MP-ID
mp-3294574
Elements
4
Sites
36
Density
8.6792
g/cm³
Volume
636.82
ų
Cell a
6.8454
Å
Cell b
7.0220
Å
Cell c
13.2482
Å
α Angle
90.05
°
β Angle
89.94
°
γ Angle
89.99
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 6.67 | 13.2482 | 4.3 | (0,0,1) |
| 12.61 | 7.0220 | 1.2 | (0,1,0) |
| 12.93 | 6.8454 | 1.1 | (1,0,0) |
| 13.37 | 6.6241 | 1.1 | (0,0,2) |
| 14.27 | 6.2065 | 28.2 | (0,1,-1) |
| 14.28 | 6.2023 | 36.2 | (0,1,1) |
| 18.10 | 4.9022 | 2.6 | (1,1,0) |
| 18.10 | 4.9011 | 6.9 | (1,-1,0) |
| 19.30 | 4.5987 | 1.9 | (1,-1,1) |
| 19.30 | 4.5978 | 1.0 | (1,1,1) |
| 19.31 | 4.5973 | 3.4 | (1,1,-1) |
| 23.79 | 3.7397 | 58.6 | (0,1,-3) |
| 23.81 | 3.7369 | 52.4 | (0,1,3) |
| 25.37 | 3.5110 | 1.6 | (0,2,0) |
| 26.03 | 3.4227 | 29.2 | (2,0,0) |
| 26.90 | 3.3147 | 2.5 | (2,0,1) |
| 26.91 | 3.3130 | 1.6 | (2,0,-1) |
| 26.92 | 3.3121 | 1.2 | (0,0,4) |
| 27.18 | 3.2814 | 2.3 | (1,1,3) |
| 27.20 | 3.2786 | 1.3 | (1,-1,-3) |
| 28.57 | 3.1243 | 4.1 | (1,2,0) |
| 28.58 | 3.1238 | 2.6 | (1,-2,0) |
| 28.77 | 3.1033 | 1.0 | (0,2,-2) |
| 28.79 | 3.1011 | 2.4 | (0,2,2) |
Energy Properties
Formation Energy/atom
-0.80169
eV/atom
Energy/atom
-20.90848
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.9085
eV/atom
Volume/atom
17.69
ų
c/a Ratio
1.9354
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0052
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
Ge · 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
1.2873
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.7022
J/mol·K
Ω Parameter
3.7106
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.632%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3422
smaller = more stable mixing
VEC
6.278
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.967
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9286
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294574
Reference Citation
The crystal structure and related material properties of Tm8Ti7Ge16Mo5 were obtained from the Materials Project database (MP-ID: mp-3294574, 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
Loading 3D structure…
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Raw CIF Data
# generated using pymatgen
data_Tm8Ti7Ge16Mo5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84536565
_cell_length_b 7.02203880
_cell_length_c 13.24823711
_cell_angle_alpha 90.04784758
_cell_angle_beta 89.94044047
_cell_angle_gamma 89.98742050
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm8Ti7Ge16Mo5
_chemical_formula_sum 'Tm8 Ti7 Ge16 Mo5'
_cell_volume 636.82128587
_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
Tm Tm0 1 0.49685536 0.32510885 0.09619685 1.0
Tm Tm1 1 0.99648666 0.17501437 0.40380171 1.0
Tm Tm2 1 0.50325253 0.67684936 0.59593298 1.0
Tm Tm3 1 0.00318602 0.82597735 0.90471285 1.0
Tm Tm4 1 0.50254117 0.67407297 0.90305918 1.0
Tm Tm5 1 0.00523944 0.82844231 0.59550459 1.0
Tm Tm6 1 0.49522431 0.32408423 0.40633328 1.0
Tm Tm7 1 0.99693139 0.17477408 0.09658326 1.0
Ti Ti8 1 0.84271959 0.33006465 0.62743520 1.0
Ti Ti9 1 0.33733006 0.16872020 0.87136890 1.0
Ti Ti10 1 0.16124814 0.66856176 0.12703402 1.0
Ti Ti11 1 0.66028281 0.83169409 0.37298031 1.0
Ti Ti12 1 0.16060082 0.66893676 0.37366977 1.0
Ti Ti13 1 0.66181406 0.83084573 0.12770730 1.0
Ti Ti14 1 0.83890576 0.32956509 0.87075740 1.0
Ge Ge15 1 0.67097703 0.04250986 0.54319468 1.0
Ge Ge16 1 0.17431037 0.45701770 0.95744098 1.0
Ge Ge17 1 0.32632443 0.95765915 0.04242502 1.0
Ge Ge18 1 0.82571229 0.54173026 0.45782978 1.0
Ge Ge19 1 0.32402882 0.95658069 0.45802294 1.0
Ge Ge20 1 0.82722070 0.54163828 0.04278254 1.0
Ge Ge21 1 0.67271842 0.04214083 0.95741094 1.0
Ge Ge22 1 0.17577212 0.45817407 0.54255643 1.0
Ge Ge23 1 0.53604141 0.37418257 0.74844143 1.0
Ge Ge24 1 0.03771683 0.12263494 0.75050558 1.0
Ge Ge25 1 0.46231254 0.62493866 0.25045795 1.0
Ge Ge26 1 0.96368893 0.87584798 0.25039758 1.0
Ge Ge27 1 0.80588248 0.63687619 0.74927016 1.0
Ge Ge28 1 0.30645122 0.86349777 0.75055610 1.0
Ge Ge29 1 0.19589169 0.36366340 0.25029104 1.0
Ge Ge30 1 0.69553246 0.13752154 0.25024194 1.0
Mo Mo31 1 0.33538423 0.16767750 0.62664830 1.0
Mo Mo32 1 0.66562838 0.01206549 0.74908770 1.0
Mo Mo33 1 0.16384975 0.48797890 0.74859518 1.0
Mo Mo34 1 0.33585737 0.99111591 0.25039085 1.0
Mo Mo35 1 0.83607840 0.51183752 0.25037326 1.0
