Dy8Ti7Si16W5
High-Entropy Materials HEAMP-ID: mp-3292183 · Space group: P1 (#1)
Basic Information
Formula
Dy8Ti7Si16W5
MP-ID
mp-3292183
Elements
4
Sites
36
Density
8.0905
g/cm³
Volume
616.48
ų
Cell a
6.9339
Å
Cell b
6.9313
Å
Cell c
12.8271
Å
α Angle
90.12
°
β Angle
90.06
°
γ Angle
90.05
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 6.89 | 12.8271 | 25.0 | (0,0,1) |
| 12.77 | 6.9339 | 6.9 | (1,0,0) |
| 12.77 | 6.9313 | 6.8 | (0,1,0) |
| 13.81 | 6.4135 | 5.8 | (0,0,2) |
| 14.51 | 6.1033 | 15.8 | (0,1,-1) |
| 14.52 | 6.1025 | 23.1 | (1,0,-1) |
| 14.53 | 6.0971 | 6.9 | (1,0,1) |
| 14.54 | 6.0927 | 15.2 | (0,1,1) |
| 18.09 | 4.9041 | 12.6 | (1,-1,0) |
| 18.10 | 4.9001 | 10.8 | (1,1,0) |
| 18.83 | 4.7124 | 3.8 | (0,1,-2) |
| 18.84 | 4.7108 | 6.6 | (1,0,-2) |
| 18.87 | 4.7026 | 3.9 | (0,1,2) |
| 19.37 | 4.5818 | 56.2 | (1,-1,1) |
| 19.38 | 4.5809 | 58.8 | (1,1,-1) |
| 19.38 | 4.5796 | 38.0 | (1,-1,-1) |
| 19.41 | 4.5741 | 38.0 | (1,1,1) |
| 20.77 | 4.2757 | 2.5 | (0,0,3) |
| 22.81 | 3.8979 | 9.7 | (1,1,-2) |
| 22.82 | 3.8971 | 9.4 | (1,-1,2) |
| 22.84 | 3.8944 | 27.9 | (1,-1,-2) |
| 22.86 | 3.8896 | 26.0 | (1,1,2) |
| 24.44 | 3.6424 | 1.6 | (0,1,-3) |
| 24.47 | 3.6377 | 2.4 | (1,0,3) |
Energy Properties
Formation Energy/atom
-0.76830
eV/atom
Energy/atom
-21.42491
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.4249
eV/atom
Volume/atom
17.12
ų
c/a Ratio
1.8499
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0873
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000140
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
1.2873
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.7022
J/mol·K
Ω Parameter
0.6682
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.361%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3642
smaller = more stable mixing
VEC
5.611
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-32.253
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9286
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292183
Reference Citation
The crystal structure and related material properties of Dy8Ti7Si16W5 were obtained from the Materials Project database (MP-ID: mp-3292183, 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_Dy8Ti7Si16W5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.93393995
_cell_length_b 6.93130901
_cell_length_c 12.82709890
_cell_angle_alpha 90.11907514
_cell_angle_beta 90.06047484
_cell_angle_gamma 90.04630043
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy8Ti7Si16W5
_chemical_formula_sum 'Dy8 Ti7 Si16 W5'
_cell_volume 616.48492029
_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 0.00034260 0.66045153 0.03267257 1.0
Dy Dy1 1 0.00058700 0.33966199 0.53058410 1.0
Dy Dy2 1 0.66060868 0.99974427 0.96797439 1.0
Dy Dy3 1 0.15992550 0.49976771 0.78205156 1.0
Dy Dy4 1 0.84051865 0.49992550 0.28205619 1.0
Dy Dy5 1 0.50011653 0.16150369 0.21960881 1.0
Dy Dy6 1 0.49966830 0.83922062 0.71736276 1.0
Dy Dy7 1 0.33934323 0.99935742 0.46785468 1.0
Ti Ti8 1 0.84659424 0.98971879 0.37621719 1.0
Ti Ti9 1 0.01060465 0.15523720 0.12504859 1.0
Ti Ti10 1 0.99237629 0.84602439 0.62304245 1.0
Ti Ti11 1 0.50821170 0.34586401 0.62518732 1.0
Ti Ti12 1 0.15370396 0.00909520 0.87581316 1.0
Ti Ti13 1 0.49300293 0.65292853 0.12513049 1.0
Ti Ti14 1 0.65378477 0.49110210 0.87422764 1.0
Si Si15 1 0.04776911 0.70808637 0.43471930 1.0
Si Si16 1 0.95428522 0.29253856 0.93530165 1.0
Si Si17 1 0.70740097 0.04653482 0.56543844 1.0
Si Si18 1 0.20743259 0.45593729 0.18594832 1.0
Si Si19 1 0.79115887 0.54553242 0.68478628 1.0
Si Si20 1 0.45410974 0.20733767 0.81508653 1.0
Si Si21 1 0.54442787 0.79063255 0.31470217 1.0
Si Si22 1 0.29266765 0.95413256 0.06498379 1.0
Si Si23 1 0.79930059 0.87054985 0.18477448 1.0
Si Si24 1 0.29837286 0.62921815 0.56491369 1.0
Si Si25 1 0.70094490 0.36919692 0.06511349 1.0
Si Si26 1 0.62896195 0.29943365 0.43333565 1.0
Si Si27 1 0.36974567 0.70097805 0.93494877 1.0
Si Si28 1 0.12947509 0.20372730 0.31672395 1.0
Si Si29 1 0.19944391 0.13089440 0.68457376 1.0
Si Si30 1 0.87015046 0.79949339 0.81434034 1.0
W W31 1 0.34626812 0.50782372 0.37483371 1.0
W W32 1 0.67040452 0.67054359 0.49925108 1.0
W W33 1 0.82629284 0.17219210 0.75012257 1.0
W W34 1 0.17377958 0.82758697 0.25026810 1.0
W W35 1 0.32821645 0.32802670 0.00100203 1.0
