Dy8Si16Mo11W
High-Entropy Materials HEAMP-ID: mp-3293241 · Space group: Pm (#6)
Basic Information
Formula
Dy8Si16Mo11W
MP-ID
mp-3293241
Elements
4
Sites
36
Density
8.2379
g/cm³
Volume
602.41
ų
Cell a
6.7392
Å
Cell b
6.9343
Å
Cell c
12.8907
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.03
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 6.86 | 12.8907 | 5.4 | (0,0,1) |
| 12.77 | 6.9343 | 1.5 | (0,1,0) |
| 13.14 | 6.7392 | 1.5 | (1,0,0) |
| 14.50 | 6.1068 | 6.3 | (0,1,1) |
| 14.83 | 5.9723 | 2.2 | (1,0,1) |
| 18.35 | 4.8340 | 2.0 | (1,-1,0) |
| 18.36 | 4.8317 | 1.9 | (1,1,0) |
| 18.80 | 4.7210 | 1.3 | (0,1,2) |
| 19.05 | 4.6580 | 1.2 | (1,0,2) |
| 19.61 | 4.5262 | 3.0 | (1,-1,1) |
| 19.62 | 4.5243 | 2.9 | (1,1,1) |
| 23.00 | 3.8672 | 13.6 | (1,-1,2) |
| 23.00 | 3.8660 | 13.7 | (1,1,2) |
| 24.37 | 3.6525 | 33.1 | (0,1,3) |
| 25.69 | 3.4672 | 6.7 | (0,2,0) |
| 26.45 | 3.3696 | 13.6 | (2,0,0) |
| 27.68 | 3.2227 | 32.2 | (0,0,4) |
| 27.78 | 3.2116 | 13.6 | (1,-1,3) |
| 27.78 | 3.2109 | 13.5 | (1,1,3) |
| 28.96 | 3.0837 | 7.1 | (1,-2,0) |
| 28.97 | 3.0825 | 4.7 | (1,2,0) |
| 29.25 | 3.0534 | 19.3 | (0,2,2) |
| 29.47 | 3.0313 | 6.1 | (2,-1,0) |
| 29.48 | 3.0302 | 8.4 | (2,1,0) |
Energy Properties
Formation Energy/atom
-0.69230
eV/atom
Energy/atom
-21.09213
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.0921
eV/atom
Volume/atom
16.73
ų
c/a Ratio
1.9128
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0043
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.444
Element Family
Metalloid-Nonmetal
Solute Fraction
0.556
Interstitial Fraction
0.444
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1565
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6149
J/mol·K
Ω Parameter
1.1415
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.294%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3547
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-17.778
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8342
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293241
Reference Citation
The crystal structure and related material properties of Dy8Si16Mo11W were obtained from the Materials Project database (MP-ID: mp-3293241, 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_Dy8Si16Mo11W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73924275
_cell_length_b 6.93434330
_cell_length_c 12.89073601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.02755234
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy8Si16Mo11W
_chemical_formula_sum 'Dy8 Si16 Mo11 W1'
_cell_volume 602.41267766
_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 0.49858224 0.33320392 0.09454441 1.0
Dy Dy1 1 0.99822826 0.16724849 0.40565067 1.0
Dy Dy2 1 0.50159417 0.66685774 0.59442712 1.0
Dy Dy3 1 0.00145712 0.83306549 0.90573665 1.0
Dy Dy4 1 0.50159417 0.66685774 0.90557288 1.0
Dy Dy5 1 0.00145712 0.83306549 0.59426335 1.0
Dy Dy6 1 0.49858224 0.33320392 0.40545559 1.0
Dy Dy7 1 0.99822826 0.16724849 0.09434933 1.0
Si Si8 1 0.80242628 0.62581747 0.75000000 1.0
Si Si9 1 0.30233422 0.87416163 0.75000000 1.0
Si Si10 1 0.19778267 0.37302813 0.25000000 1.0
Si Si11 1 0.69781855 0.12700545 0.25000000 1.0
Si Si12 1 0.53576601 0.36392553 0.75000000 1.0
Si Si13 1 0.03597114 0.13583470 0.75000000 1.0
Si Si14 1 0.46402481 0.63564115 0.25000000 1.0
Si Si15 1 0.96470997 0.86573765 0.25000000 1.0
Si Si16 1 0.65755513 0.04223373 0.54733150 1.0
Si Si17 1 0.15785770 0.45765578 0.95280323 1.0
Si Si18 1 0.34234894 0.95756302 0.04750163 1.0
Si Si19 1 0.84170485 0.54201095 0.45291829 1.0
Si Si20 1 0.34234894 0.95756302 0.45249837 1.0
Si Si21 1 0.84170485 0.54201095 0.04708171 1.0
Si Si22 1 0.65755513 0.04223373 0.95266850 1.0
Si Si23 1 0.15785770 0.45765578 0.54719677 1.0
Mo Mo24 1 0.66535690 0.99878589 0.75000000 1.0
Mo Mo25 1 0.16508814 0.50080585 0.75000000 1.0
Mo Mo26 1 0.33510906 0.00129657 0.25000000 1.0
Mo Mo27 1 0.83115279 0.33304994 0.62479277 1.0
Mo Mo28 1 0.33115511 0.16708491 0.87536474 1.0
Mo Mo29 1 0.16814747 0.66627517 0.12500032 1.0
Mo Mo30 1 0.66935117 0.83271328 0.37505234 1.0
Mo Mo31 1 0.16814747 0.66627517 0.37499968 1.0
Mo Mo32 1 0.66935117 0.83271328 0.12494766 1.0
Mo Mo33 1 0.83115279 0.33304994 0.87520723 1.0
Mo Mo34 1 0.33115511 0.16708491 0.62463526 1.0
W W35 1 0.83534034 0.50003617 0.25000000 1.0
