Ho17Tm3Ir11Ru
High-Entropy Materials HEAMP-ID: mp-3296913 · Space group: P2 (#3)
Basic Information
Formula
Ho17Tm3Ir11Ru
MP-ID
mp-3296913
Elements
4
Sites
32
Density
12.5559
g/cm³
Volume
730.84
ų
Cell a
10.7369
Å
Cell b
10.7384
Å
Cell c
6.3387
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
No
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 |
|---|---|---|---|
| 8.23 | 10.7384 | 1.9 | (0,1,0) |
| 8.23 | 10.7369 | 3.1 | (1,0,0) |
| 11.65 | 7.5929 | 1.5 | (1,-1,0) |
| 11.66 | 7.5924 | 1.5 | (1,1,0) |
| 16.24 | 5.4587 | 1.4 | (0,1,1) |
| 16.24 | 5.4585 | 1.0 | (1,0,1) |
| 16.51 | 5.3692 | 8.6 | (0,2,0) |
| 16.51 | 5.3685 | 8.6 | (2,0,0) |
| 18.23 | 4.8660 | 1.2 | (1,-1,1) |
| 18.23 | 4.8659 | 1.1 | (1,1,1) |
| 23.24 | 3.8278 | 30.5 | (1,-2,1) |
| 23.24 | 3.8277 | 44.7 | (1,2,1) |
| 23.24 | 3.8276 | 44.7 | (2,-1,1) |
| 23.24 | 3.8275 | 30.6 | (2,1,1) |
| 23.43 | 3.7964 | 10.5 | (2,-2,0) |
| 23.43 | 3.7962 | 10.5 | (2,2,0) |
| 28.16 | 3.1694 | 10.8 | (0,0,2) |
| 29.38 | 3.0397 | 30.3 | (0,1,2) |
| 29.38 | 3.0397 | 30.3 | (1,0,2) |
| 29.85 | 2.9933 | 73.0 | (1,-3,1) |
| 29.85 | 2.9932 | 89.6 | (1,3,1) |
| 29.85 | 2.9931 | 89.4 | (3,-1,1) |
| 29.85 | 2.9930 | 73.1 | (3,1,1) |
| 30.57 | 2.9248 | 1.4 | (1,-1,2) |
Energy Properties
Formation Energy/atom
-0.91497
eV/atom
Energy/atom
-40.46883
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.4688
eV/atom
Volume/atom
22.84
ų
c/a Ratio
0.5904
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.531
Element Family
Lanthanide
Solute Fraction
0.469
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0333
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5910
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.830%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4682
smaller = more stable mixing
VEC
10.406
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7454
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296913
Reference Citation
The crystal structure and related material properties of Ho17Tm3Ir11Ru were obtained from the Materials Project database (MP-ID: mp-3296913, 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_Ho17Tm3Ir11Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.73691126
_cell_length_b 10.73836162
_cell_length_c 6.33873307
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00348702
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho17Tm3Ir11Ru
_chemical_formula_sum 'Ho17 Tm3 Ir11 Ru1'
_cell_volume 730.83586460
_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
Ho Ho0 1 0.29208864 0.08677134 0.38180566 1.0
Ho Ho1 1 0.29280201 0.91298949 0.88509572 1.0
Ho Ho2 1 0.70719799 0.08701051 0.88509572 1.0
Ho Ho3 1 0.70791136 0.91322866 0.38180566 1.0
Ho Ho4 1 0.58706576 0.79304120 0.88498293 1.0
Ho Ho5 1 0.58682120 0.20729314 0.38189676 1.0
Ho Ho6 1 0.41317880 0.79270686 0.38189676 1.0
Ho Ho7 1 0.41293424 0.20695880 0.88498293 1.0
Ho Ho8 1 0.20866313 0.41135093 0.61721479 1.0
Ho Ho9 1 0.20904395 0.58762679 0.11672784 1.0
Ho Ho10 1 0.79095605 0.41237321 0.11672784 1.0
Ho Ho11 1 0.79133687 0.58864907 0.61721479 1.0
Ho Ho12 1 0.91244928 0.70927732 0.11661841 1.0
Ho Ho13 1 0.91143907 0.29073209 0.61738938 1.0
Ho Ho14 1 0.08856093 0.70926791 0.61738938 1.0
Ho Ho15 1 0.08755072 0.29072268 0.11661841 1.0
Ho Ho16 1 0.50000000 0.50000000 0.49783741 1.0
Tm Tm17 1 0.00000000 0.00000000 0.49803643 1.0
Tm Tm18 1 0.00000000 0.00000000 0.99809447 1.0
Tm Tm19 1 0.50000000 0.50000000 0.99805890 1.0
Ir Ir20 1 0.84816421 0.15256856 0.24959344 1.0
Ir Ir21 1 0.84835607 0.84774469 0.74908768 1.0
Ir Ir22 1 0.15164393 0.15225531 0.74908768 1.0
Ir Ir23 1 0.15183579 0.84743144 0.24959344 1.0
Ir Ir24 1 0.65259569 0.34728063 0.75035110 1.0
Ir Ir25 1 0.65372051 0.65219290 0.24819838 1.0
Ir Ir26 1 0.34627949 0.34780710 0.24819838 1.0
Ir Ir27 1 0.34740431 0.65271937 0.75035110 1.0
Ir Ir28 1 0.50000000 0.00000000 0.63136226 1.0
Ir Ir29 1 0.00000000 0.50000000 0.87234517 1.0
Ir Ir30 1 0.00000000 0.50000000 0.37290547 1.0
Ru Ru31 1 0.50000000 0.00000000 0.13344173 1.0
