Tm10IrPt5
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292652 · Space group: P4cc (#103)
Basic Information
Formula
Tm10IrPt5
MP-ID
mp-3292652
Elements
3
Sites
32
Density
12.8327
g/cm³
Volume
739.38
ų
Cell a
10.8224
Å
Cell b
10.8224
Å
Cell c
6.3128
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4cc
Point Group
4mm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 11.56 | 7.6526 | 4.8 | (1,1,0) |
| 16.38 | 5.4112 | 5.9 | (2,0,0) |
| 23.16 | 3.8410 | 33.3 | (2,1,1) |
| 23.25 | 3.8263 | 7.3 | (2,2,0) |
| 28.27 | 3.1564 | 3.4 | (0,0,2) |
| 29.48 | 3.0302 | 13.1 | (1,0,2) |
| 29.69 | 3.0087 | 72.5 | (3,1,1) |
| 32.85 | 2.7265 | 26.9 | (2,0,2) |
| 33.04 | 2.7108 | 67.1 | (3,2,1) |
| 33.91 | 2.6439 | 78.5 | (2,1,2) |
| 35.18 | 2.5509 | 10.2 | (3,3,0) |
| 36.92 | 2.4349 | 3.1 | (2,2,2) |
| 37.09 | 2.4237 | 100.0 | (4,1,1) |
| 37.15 | 2.4200 | 97.3 | (4,2,0) |
| 37.87 | 2.3755 | 41.2 | (3,0,2) |
| 38.81 | 2.3202 | 49.9 | (3,1,2) |
| 39.90 | 2.2596 | 28.6 | (4,2,1) |
| 41.52 | 2.1751 | 22.8 | (3,2,2) |
| 42.60 | 2.1225 | 5.1 | (5,1,0) |
| 44.08 | 2.0542 | 27.0 | (4,0,2) |
| 44.24 | 2.0475 | 5.0 | (4,3,1) |
| 44.91 | 2.0182 | 3.2 | (4,1,2) |
| 45.73 | 1.9840 | 4.8 | (3,3,2) |
| 47.09 | 1.9298 | 39.9 | (2,1,3) |
Energy Properties
Formation Energy/atom
-1.16666
eV/atom
Energy/atom
-42.47968
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.4797
eV/atom
Volume/atom
23.11
ų
c/a Ratio
0.5833
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.2919
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.000390
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
6.8771
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.962%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4925
smaller = more stable mixing
VEC
11.813
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-3292652
Reference Citation
The crystal structure and related material properties of Tm10IrPt5 were obtained from the Materials Project database (MP-ID: mp-3292652, 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_Tm10IrPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.82240666
_cell_length_b 10.82240666
_cell_length_c 6.31280240
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm10IrPt5
_chemical_formula_sum 'Tm20 Ir2 Pt10'
_cell_volume 739.38373590
_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 0.29253847 0.08825055 0.37727544 1.0
Tm Tm1 1 0.29253847 0.91174945 0.87727544 1.0
Tm Tm2 1 0.70746153 0.08825055 0.87727544 1.0
Tm Tm3 1 0.70746153 0.91174945 0.37727544 1.0
Tm Tm4 1 0.58825055 0.79253847 0.87727544 1.0
Tm Tm5 1 0.58825055 0.20746153 0.37727544 1.0
Tm Tm6 1 0.41174945 0.79253847 0.37727544 1.0
Tm Tm7 1 0.41174945 0.20746153 0.87727544 1.0
Tm Tm8 1 0.20437371 0.41268707 0.62235036 1.0
Tm Tm9 1 0.20437371 0.58731293 0.12235036 1.0
Tm Tm10 1 0.79562629 0.41268707 0.12235036 1.0
Tm Tm11 1 0.79562629 0.58731293 0.62235036 1.0
Tm Tm12 1 0.91268707 0.70437371 0.12235036 1.0
Tm Tm13 1 0.91268707 0.29562629 0.62235036 1.0
Tm Tm14 1 0.08731293 0.70437371 0.62235036 1.0
Tm Tm15 1 0.08731293 0.29562629 0.12235036 1.0
Tm Tm16 1 0.00000000 0.00000000 0.50200639 1.0
Tm Tm17 1 0.00000000 0.00000000 0.00200639 1.0
Tm Tm18 1 0.50000000 0.50000000 0.00200639 1.0
Tm Tm19 1 0.50000000 0.50000000 0.50200639 1.0
Ir Ir20 1 0.00000000 0.50000000 0.87728370 1.0
Ir Ir21 1 0.00000000 0.50000000 0.37728370 1.0
Pt Pt22 1 0.84520484 0.15262596 0.25066992 1.0
Pt Pt23 1 0.84520484 0.84737404 0.75066992 1.0
Pt Pt24 1 0.15479516 0.15262596 0.75066992 1.0
Pt Pt25 1 0.15479516 0.84737404 0.25066992 1.0
Pt Pt26 1 0.65262596 0.34520484 0.75066992 1.0
Pt Pt27 1 0.65262596 0.65479516 0.25066992 1.0
Pt Pt28 1 0.34737404 0.34520484 0.25066992 1.0
Pt Pt29 1 0.34737404 0.65479516 0.75066992 1.0
Pt Pt30 1 0.50000000 0.00000000 0.11752262 1.0
Pt Pt31 1 0.50000000 0.00000000 0.61752262 1.0
