Ho8V3Si16W9
High-Entropy Materials HEAMP-ID: mp-3292814 · Space group: C2 (#5)
Basic Information
Formula
Ho8V3Si16W9
MP-ID
mp-3292814
Elements
4
Sites
36
Density
10.0447
g/cm³
Volume
591.20
ų
Cell a
6.8312
Å
Cell b
6.8312
Å
Cell c
12.6689
Å
α Angle
90.02
°
β Angle
89.98
°
γ Angle
89.95
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 6.98 | 12.6689 | 9.8 | (0,0,1) |
| 12.96 | 6.8312 | 5.3 | (1,0,0) |
| 13.98 | 6.3345 | 2.4 | (0,0,2) |
| 14.73 | 6.0121 | 6.7 | (1,0,-1) |
| 18.36 | 4.8325 | 1.0 | (1,1,0) |
| 18.38 | 4.8283 | 5.0 | (1,-1,0) |
| 19.10 | 4.6455 | 2.8 | (1,0,2) |
| 19.11 | 4.6442 | 1.5 | (0,1,2) |
| 19.11 | 4.6442 | 1.5 | (1,0,-2) |
| 19.66 | 4.5152 | 1.9 | (1,1,1) |
| 19.67 | 4.5123 | 6.8 | (1,-1,1) |
| 23.15 | 3.8421 | 1.7 | (1,1,2) |
| 24.78 | 3.5925 | 10.7 | (1,0,3) |
| 24.79 | 3.5916 | 5.1 | (1,0,-3) |
| 26.09 | 3.4156 | 16.9 | (2,0,0) |
| 27.04 | 3.2981 | 33.2 | (2,0,1) |
| 27.04 | 3.2976 | 21.9 | (0,2,1) |
| 27.04 | 3.2976 | 21.9 | (2,0,-1) |
| 28.06 | 3.1799 | 53.3 | (1,1,3) |
| 28.07 | 3.1793 | 28.0 | (1,-1,3) |
| 28.08 | 3.1781 | 14.7 | (1,-1,-3) |
| 28.18 | 3.1672 | 1.5 | (0,0,4) |
| 29.22 | 3.0561 | 1.1 | (2,1,0) |
| 29.71 | 3.0068 | 59.7 | (2,0,2) |
Energy Properties
Formation Energy/atom
-0.60367
eV/atom
Energy/atom
-25.82616
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.8262
eV/atom
Volume/atom
16.42
ų
c/a Ratio
1.8546
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.8081
μB
Mag. Ordering
FiM
Mag. Sites
6
Magnetization/Volume
0.004750
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
1.2483
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.3784
J/mol·K
Ω Parameter
1.1580
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.351%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3944
smaller = more stable mixing
VEC
6.139
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-20.083
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9005
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292814
Reference Citation
The crystal structure and related material properties of Ho8V3Si16W9 were obtained from the Materials Project database (MP-ID: mp-3292814, 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_Ho8V3Si16W9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83120962
_cell_length_b 6.83121035
_cell_length_c 12.66894122
_cell_angle_alpha 90.01581025
_cell_angle_beta 89.98419047
_cell_angle_gamma 89.94930722
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho8V3Si16W9
_chemical_formula_sum 'Ho8 V3 Si16 W9'
_cell_volume 591.20131145
_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 0.33763208 0.00001027 0.46829161 1.0
Ho Ho1 1 0.50042578 0.83711339 0.71828550 1.0
Ho Ho2 1 0.49837620 0.16291181 0.21789762 1.0
Ho Ho3 1 0.83711339 0.50042578 0.28171450 1.0
Ho Ho4 1 0.16291181 0.49837620 0.78210238 1.0
Ho Ho5 1 0.66194993 0.00036727 0.96829621 1.0
Ho Ho6 1 0.00001027 0.33763208 0.53170839 1.0
Ho Ho7 1 0.00036727 0.66194993 0.03170379 1.0
V V8 1 0.16849606 0.83298442 0.24911942 1.0
V V9 1 0.83298442 0.16849606 0.75088058 1.0
V V10 1 0.66803017 0.66803017 0.50000000 1.0
Si Si11 1 0.19968039 0.12691407 0.68468628 1.0
Si Si12 1 0.37344877 0.70077355 0.93394903 1.0
Si Si13 1 0.62798472 0.29949903 0.43480647 1.0
Si Si14 1 0.70077355 0.37344877 0.06605097 1.0
Si Si15 1 0.29949903 0.62798472 0.56519353 1.0
Si Si16 1 0.79826074 0.87363808 0.18481776 1.0
Si Si17 1 0.12691407 0.19968039 0.31531372 1.0
Si Si18 1 0.87363808 0.79826074 0.81518224 1.0
Si Si19 1 0.28899271 0.96224523 0.06393440 1.0
Si Si20 1 0.53613690 0.79058318 0.31377359 1.0
Si Si21 1 0.46473442 0.20922848 0.81282126 1.0
Si Si22 1 0.79058318 0.53613690 0.68622641 1.0
Si Si23 1 0.20922848 0.46473442 0.18717874 1.0
Si Si24 1 0.70957908 0.03708946 0.56395291 1.0
Si Si25 1 0.96224523 0.28899271 0.93606560 1.0
Si Si26 1 0.03708946 0.70957908 0.43604709 1.0
W W27 1 0.33122175 0.33122175 1.00000000 1.0
W W28 1 0.16193117 0.00108560 0.87400154 1.0
W W29 1 0.49842070 0.66455722 0.12441208 1.0
W W30 1 0.50163081 0.33909984 0.62394587 1.0
W W31 1 0.66455722 0.49842070 0.87558792 1.0
W W32 1 0.33909984 0.50163081 0.37605413 1.0
W W33 1 0.83827816 0.99668656 0.37463916 1.0
W W34 1 0.00108560 0.16193117 0.12599846 1.0
W W35 1 0.99668656 0.83827816 0.62536084 1.0
