Ho2Si5RuPt2
High-Entropy Materials HEAMP-ID: mp-3292268 · Space group: Ibam (#72)
Basic Information
Formula
Ho2Si5RuPt2
MP-ID
mp-3292268
Elements
4
Sites
20
Density
9.6522
g/cm³
Volume
330.84
ų
Cell a
8.0912
Å
Cell b
8.0912
Å
Cell c
8.0912
Å
α Angle
137.44
°
β Angle
104.34
°
γ Angle
90.90
°
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 |
|---|---|---|---|
| 11.84 | 7.4721 | 19.1 | (1,0,0) |
| 17.87 | 4.9624 | 3.1 | (1,-1,1) |
| 23.82 | 3.7360 | 3.1 | (2,0,0) |
| 24.76 | 3.5952 | 31.9 | (1,-2,1) |
| 25.19 | 3.5360 | 18.9 | (2,1,-1) |
| 25.19 | 3.5360 | 18.9 | (1,2,-2) |
| 28.09 | 3.1761 | 18.8 | (2,-1,1) |
| 30.44 | 2.9362 | 39.2 | (1,-1,-1) |
| 31.52 | 2.8382 | 32.9 | (2,2,-2) |
| 32.77 | 2.7328 | 14.1 | (1,-2,0) |
| 32.77 | 2.7328 | 14.1 | (0,1,1) |
| 33.46 | 2.6780 | 2.0 | (0,3,-2) |
| 34.39 | 2.6080 | 2.0 | (0,2,0) |
| 34.39 | 2.6080 | 2.0 | (2,0,-2) |
| 34.91 | 2.5700 | 100.0 | (3,-1,0) |
| 34.91 | 2.5700 | 33.3 | (0,2,-3) |
| 35.53 | 2.5270 | 17.6 | (2,-2,0) |
| 35.53 | 2.5270 | 17.6 | (0,0,2) |
| 36.06 | 2.4907 | 6.5 | (3,0,0) |
| 36.47 | 2.4637 | 30.7 | (3,1,-1) |
| 39.91 | 2.2589 | 8.6 | (0,3,-1) |
| 39.91 | 2.2589 | 2.9 | (2,1,-3) |
| 40.25 | 2.2406 | 4.9 | (3,-2,1) |
| 40.25 | 2.2406 | 4.9 | (2,-1,2) |
Energy Properties
Formation Energy/atom
-1.03177
eV/atom
Energy/atom
-24.83492
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.8349
eV/atom
Volume/atom
16.54
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
0.0006
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
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
1.9517
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.353%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3562
smaller = more stable mixing
VEC
7.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.667
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-3292268
Reference Citation
The crystal structure and related material properties of Ho2Si5RuPt2 were obtained from the Materials Project database (MP-ID: mp-3292268, 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_Ho2Si5RuPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09123573
_cell_length_b 8.09123574
_cell_length_c 8.09123392
_cell_angle_alpha 137.44439652
_cell_angle_beta 104.34281562
_cell_angle_gamma 90.89703767
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Si5RuPt2
_chemical_formula_sum 'Ho4 Si10 Ru2 Pt4'
_cell_volume 330.83553439
_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
Ho Ho0 1 0.86092968 0.63014944 0.23077924 1.0
Ho Ho1 1 0.13907032 0.36985056 0.76922076 1.0
Ho Ho2 1 0.39937019 0.13014944 0.26922076 1.0
Ho Ho3 1 0.60062981 0.86985056 0.73077924 1.0
Si Si4 1 0.50000000 0.75000000 0.25000000 1.0
Si Si5 1 0.50000000 0.25000000 0.75000000 1.0
Si Si6 1 0.22276627 0.97276627 0.75000000 1.0
Si Si7 1 0.77723373 0.52723373 0.75000000 1.0
Si Si8 1 0.77723373 0.02723373 0.25000000 1.0
Si Si9 1 0.22276627 0.47276627 0.25000000 1.0
Si Si10 1 0.04717889 0.89699823 0.15017966 1.0
Si Si11 1 0.95282111 0.10300177 0.84982034 1.0
Si Si12 1 0.74681857 0.39699823 0.34982034 1.0
Si Si13 1 0.25318143 0.60300177 0.65017966 1.0
Ru Ru14 1 0.00000000 0.75000000 0.75000000 1.0
Ru Ru15 1 0.00000000 0.25000000 0.25000000 1.0
Pt Pt16 1 0.24600994 0.86033519 0.38567675 1.0
Pt Pt17 1 0.75399006 0.13966481 0.61432325 1.0
Pt Pt18 1 0.47465944 0.36033519 0.11432325 1.0
Pt Pt19 1 0.52534056 0.63966481 0.88567675 1.0
