Dy4Si10Os5Ru
High-Entropy Materials HEAMP-ID: mp-3296449 · Space group: I222 (#23)
Basic Information
Formula
Dy4Si10Os5Ru
MP-ID
mp-3296449
Elements
4
Sites
20
Density
10.0974
g/cm³
Volume
326.12
ų
Cell a
8.2193
Å
Cell b
8.2193
Å
Cell c
8.2193
Å
α Angle
140.10
°
β Angle
108.43
°
γ Angle
85.22
°
Space Group
I222
Point Group
222
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 |
|---|---|---|---|
| 11.76 | 7.5261 | 5.8 | (0,1,-1) |
| 17.43 | 5.0884 | 1.5 | (1,0,-1) |
| 23.53 | 3.7813 | 5.3 | (1,1,-2) |
| 23.64 | 3.7630 | 6.2 | (0,2,-2) |
| 23.93 | 3.7189 | 63.0 | (1,2,-2) |
| 25.49 | 3.4940 | 7.2 | (0,1,-2) |
| 25.49 | 3.4940 | 21.7 | (1,0,1) |
| 28.83 | 3.0973 | 11.3 | (1,-2,2) |
| 29.53 | 3.0247 | 28.0 | (2,2,-2) |
| 31.91 | 2.8043 | 28.3 | (1,-1,-1) |
| 34.12 | 2.6278 | 35.4 | (1,0,-2) |
| 35.05 | 2.5599 | 13.7 | (1,3,-3) |
| 35.05 | 2.5599 | 13.7 | (3,1,-1) |
| 35.28 | 2.5442 | 9.9 | (2,0,-2) |
| 35.52 | 2.5276 | 100.0 | (0,2,-3) |
| 35.52 | 2.5276 | 33.3 | (3,-1,0) |
| 37.12 | 2.4221 | 26.7 | (0,0,2) |
| 37.42 | 2.4031 | 3.2 | (2,-2,2) |
| 38.36 | 2.3465 | 4.6 | (2,3,-3) |
| 40.10 | 2.2486 | 1.9 | (1,1,-3) |
| 40.10 | 2.2486 | 1.9 | (3,-1,-1) |
| 40.28 | 2.2390 | 12.3 | (2,1,-3) |
| 40.39 | 2.2333 | 2.5 | (1,-3,3) |
| 41.56 | 2.1729 | 5.8 | (1,-2,3) |
Energy Properties
Formation Energy/atom
-0.81617
eV/atom
Energy/atom
-26.11695
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.1170
eV/atom
Volume/atom
16.31
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
0.0003
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
1.1648
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6843
J/mol·K
Ω Parameter
10.2917
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.372%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3426
smaller = more stable mixing
VEC
6.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.010
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8402
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296449
Reference Citation
The crystal structure and related material properties of Dy4Si10Os5Ru were obtained from the Materials Project database (MP-ID: mp-3296449, 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_Dy4Si10Os5Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.21931808
_cell_length_b 8.21931857
_cell_length_c 8.21931933
_cell_angle_alpha 140.10257703
_cell_angle_beta 108.43192404
_cell_angle_gamma 85.21760269
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy4Si10Os5Ru
_chemical_formula_sum 'Dy4 Si10 Os5 Ru1'
_cell_volume 326.12186117
_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
Dy Dy0 1 0.90372037 0.13653780 0.76863623 1.0
Dy Dy1 1 0.09627963 0.86491586 0.23281744 1.0
Dy Dy2 1 0.63209842 0.36346220 0.26718256 1.0
Dy Dy3 1 0.36790158 0.63508414 0.73136377 1.0
Si Si4 1 0.00000000 0.75000000 0.75000000 1.0
Si Si5 1 0.00000000 0.25000000 0.25000000 1.0
Si Si6 1 0.70802216 0.45802216 0.75000000 1.0
Si Si7 1 0.29197784 0.04197784 0.75000000 1.0
Si Si8 1 0.29221687 0.54221687 0.25000000 1.0
Si Si9 1 0.70778313 0.95778313 0.25000000 1.0
Si Si10 1 0.23686914 0.40569726 0.83358362 1.0
Si Si11 1 0.57211264 0.90328653 0.66641638 1.0
Si Si12 1 0.42788736 0.09430274 0.33117288 1.0
Si Si13 1 0.76313086 0.59671347 0.16882712 1.0
Os Os14 1 0.75776014 0.85304812 0.90436661 1.0
Os Os15 1 0.50000000 0.25000000 0.75000000 1.0
Os Os16 1 0.94868250 0.35339352 0.59563339 1.0
Os Os17 1 0.05131750 0.64695188 0.40471202 1.0
Os Os18 1 0.24223986 0.14660648 0.09528798 1.0
Ru Ru19 1 0.50000000 0.75000000 0.25000000 1.0
