Tm2Si5Pt2Rh
High-Entropy Materials HEAMP-ID: mp-3292478 · Space group: Ibam (#72)
Basic Information
Formula
Tm2Si5Pt2Rh
MP-ID
mp-3292478
Elements
4
Sites
20
Density
9.8021
g/cm³
Volume
329.11
ų
Cell a
8.0624
Å
Cell b
8.0624
Å
Cell c
8.0624
Å
α Angle
137.19
°
β Angle
103.78
°
γ Angle
91.61
°
Space Group
Ibam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 11.88 | 7.4510 | 9.8 | (0,1,-1) |
| 11.88 | 7.4510 | 9.8 | (1,0,0) |
| 17.83 | 4.9757 | 4.3 | (1,-1,1) |
| 23.89 | 3.7255 | 2.0 | (0,2,-2) |
| 23.89 | 3.7255 | 2.0 | (2,0,0) |
| 24.73 | 3.5994 | 29.1 | (1,-2,1) |
| 25.40 | 3.5065 | 37.4 | (1,2,-2) |
| 28.05 | 3.1815 | 11.0 | (1,-2,2) |
| 28.05 | 3.1815 | 11.0 | (2,-1,1) |
| 30.38 | 2.9422 | 40.7 | (1,-1,-1) |
| 31.84 | 2.8101 | 33.4 | (2,2,-2) |
| 32.72 | 2.7366 | 29.5 | (2,-1,-1) |
| 33.59 | 2.6678 | 2.3 | (1,2,-3) |
| 34.41 | 2.6066 | 2.2 | (2,0,-2) |
| 34.41 | 2.6066 | 2.2 | (0,2,0) |
| 34.91 | 2.5699 | 100.0 | (1,-3,2) |
| 34.91 | 2.5699 | 33.3 | (2,0,1) |
| 35.44 | 2.5326 | 19.3 | (2,-2,0) |
| 35.44 | 2.5326 | 19.3 | (0,0,2) |
| 36.17 | 2.4837 | 7.4 | (0,3,-3) |
| 36.73 | 2.4469 | 16.4 | (1,3,-3) |
| 36.73 | 2.4469 | 16.4 | (3,1,-1) |
| 39.62 | 2.2749 | 1.3 | (1,-3,3) |
| 40.00 | 2.2539 | 8.0 | (2,1,-3) |
Energy Properties
Formation Energy/atom
-1.03445
eV/atom
Energy/atom
-25.15671
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.1567
eV/atom
Volume/atom
16.46
ų
c/a Ratio
1.0000
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
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2206
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.1481
J/mol·K
Ω Parameter
1.8254
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.353%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3572
smaller = more stable mixing
VEC
7.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.224
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8805
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292478
Reference Citation
The crystal structure and related material properties of Tm2Si5Pt2Rh were obtained from the Materials Project database (MP-ID: mp-3292478, 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_Tm2Si5Pt2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06236013
_cell_length_b 8.06236090
_cell_length_c 8.06236118
_cell_angle_alpha 137.19338470
_cell_angle_beta 103.78269395
_cell_angle_gamma 91.61071796
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm2Si5Pt2Rh
_chemical_formula_sum 'Tm4 Si10 Pt4 Rh2'
_cell_volume 329.11280984
_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 0.63925672 0.86831880 0.77093792 1.0
Tm Tm1 1 0.36074328 0.13168120 0.22906208 1.0
Tm Tm2 1 0.09738089 0.36831880 0.72906208 1.0
Tm Tm3 1 0.90261911 0.63168120 0.27093792 1.0
Si Si4 1 0.27509039 0.02509039 0.75000000 1.0
Si Si5 1 0.72490961 0.97490961 0.25000000 1.0
Si Si6 1 0.72490961 0.47490961 0.75000000 1.0
Si Si7 1 0.27509039 0.52509039 0.25000000 1.0
Si Si8 1 0.45552258 0.60551457 0.85000700 1.0
Si Si9 1 0.54447742 0.39448543 0.14999300 1.0
Si Si10 1 0.75550657 0.10551457 0.64999300 1.0
Si Si11 1 0.24449343 0.89448543 0.35000700 1.0
Si Si12 1 0.00000000 0.75000000 0.75000000 1.0
Si Si13 1 0.00000000 0.25000000 0.25000000 1.0
Pt Pt14 1 0.25456011 0.63829647 0.61626463 1.0
Pt Pt15 1 0.74543989 0.36170353 0.38373537 1.0
Pt Pt16 1 0.02203284 0.13829647 0.88373537 1.0
Pt Pt17 1 0.97796716 0.86170353 0.11626463 1.0
Rh Rh18 1 0.50000000 0.75000000 0.25000000 1.0
Rh Rh19 1 0.50000000 0.25000000 0.75000000 1.0
