Ho8V3Si16Mo9
High-Entropy Materials HEAMP-ID: mp-3293114 · Space group: C2 (#5)
Basic Information
Formula
Ho8V3Si16Mo9
MP-ID
mp-3293114
Elements
4
Sites
36
Density
7.7763
g/cm³
Volume
594.72
ų
Cell a
6.8492
Å
Cell b
6.8492
Å
Cell c
12.6775
Å
α Angle
90.01
°
β Angle
89.99
°
γ Angle
89.85
°
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 |
|---|---|---|---|
| 6.97 | 12.6775 | 2.4 | (0,0,1) |
| 12.93 | 6.8492 | 1.2 | (1,0,0) |
| 14.70 | 6.0264 | 4.9 | (1,0,1) |
| 14.70 | 6.0256 | 4.3 | (0,1,1) |
| 14.70 | 6.0256 | 4.3 | (1,0,-1) |
| 18.29 | 4.8493 | 8.7 | (1,1,0) |
| 18.34 | 4.8369 | 4.1 | (1,-1,0) |
| 19.08 | 4.6526 | 4.6 | (1,0,2) |
| 19.08 | 4.6518 | 4.7 | (1,0,-2) |
| 19.60 | 4.5293 | 12.3 | (1,1,1) |
| 19.64 | 4.5195 | 2.5 | (1,-1,1) |
| 19.65 | 4.5188 | 6.1 | (1,-1,-1) |
| 24.75 | 3.5967 | 18.0 | (1,0,3) |
| 24.76 | 3.5962 | 7.0 | (0,1,3) |
| 24.76 | 3.5962 | 7.0 | (1,0,-3) |
| 26.02 | 3.4246 | 15.6 | (2,0,0) |
| 26.97 | 3.3062 | 15.1 | (0,2,-1) |
| 26.97 | 3.3062 | 15.1 | (2,0,1) |
| 26.97 | 3.3060 | 34.6 | (2,0,-1) |
| 28.01 | 3.1859 | 24.2 | (1,1,3) |
| 28.04 | 3.1827 | 12.4 | (1,-1,3) |
| 28.04 | 3.1820 | 8.0 | (1,-1,-3) |
| 28.16 | 3.1694 | 5.9 | (0,0,4) |
| 29.65 | 3.0132 | 20.6 | (0,2,-2) |
Energy Properties
Formation Energy/atom
-0.71657
eV/atom
Energy/atom
-19.61511
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.6151
eV/atom
Volume/atom
16.52
ų
c/a Ratio
1.8510
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.0657
μB
Mag. Ordering
FiM
Mag. Sites
6
Magnetization/Volume
0.005150
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
1.0591
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.351%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3338
smaller = more stable mixing
VEC
6.139
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-20.000
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-3293114
Reference Citation
The crystal structure and related material properties of Ho8V3Si16Mo9 were obtained from the Materials Project database (MP-ID: mp-3293114, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Ho8V3Si16Mo9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84921867
_cell_length_b 6.84922000
_cell_length_c 12.67752804
_cell_angle_alpha 90.00911612
_cell_angle_beta 89.99088434
_cell_angle_gamma 89.85368947
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho8V3Si16Mo9
_chemical_formula_sum 'Ho8 V3 Si16 Mo9'
_cell_volume 594.72377584
_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 0.33881773 0.00018043 0.46807447 1.0
Ho Ho1 1 0.50004683 0.83864227 0.71802747 1.0
Ho Ho2 1 0.49859518 0.16181637 0.21749493 1.0
Ho Ho3 1 0.83864227 0.50004683 0.28197253 1.0
Ho Ho4 1 0.16181637 0.49859518 0.78250507 1.0
Ho Ho5 1 0.66058901 0.00038213 0.96800770 1.0
Ho Ho6 1 0.00018043 0.33881773 0.53192553 1.0
Ho Ho7 1 0.00038213 0.66058901 0.03199230 1.0
V V8 1 0.16891301 0.83228241 0.24936531 1.0
V V9 1 0.83228241 0.16891301 0.75063469 1.0
V V10 1 0.66859563 0.66859563 0.50000000 1.0
Si Si11 1 0.19903144 0.12705596 0.68551570 1.0
Si Si12 1 0.37374192 0.69905300 0.93514698 1.0
Si Si13 1 0.62780226 0.30044503 0.43544548 1.0
Si Si14 1 0.69905300 0.37374192 0.06485302 1.0
Si Si15 1 0.30044503 0.62780226 0.56455452 1.0
Si Si16 1 0.79888793 0.87318968 0.18557125 1.0
Si Si17 1 0.12705596 0.19903144 0.31448430 1.0
Si Si18 1 0.87318968 0.79888793 0.81442875 1.0
Si Si19 1 0.28702277 0.96270002 0.06338518 1.0
Si Si20 1 0.53698372 0.78915222 0.31369998 1.0
Si Si21 1 0.46309146 0.21145398 0.81352271 1.0
Si Si22 1 0.78915222 0.53698372 0.68630002 1.0
Si Si23 1 0.21145398 0.46309146 0.18647729 1.0
Si Si24 1 0.71130054 0.03779890 0.56388112 1.0
Si Si25 1 0.96270002 0.28702277 0.93661482 1.0
Si Si26 1 0.03779890 0.71130054 0.43611888 1.0
Mo Mo27 1 0.33062849 0.33062849 1.00000000 1.0
Mo Mo28 1 0.15991513 0.99918353 0.87357214 1.0
Mo Mo29 1 0.49941804 0.66493043 0.12490746 1.0
Mo Mo30 1 0.50156573 0.33984467 0.62417878 1.0
Mo Mo31 1 0.66493043 0.49941804 0.87509254 1.0
Mo Mo32 1 0.33984467 0.50156573 0.37582122 1.0
Mo Mo33 1 0.83927603 0.99767212 0.37469209 1.0
Mo Mo34 1 0.99918353 0.15991513 0.12642786 1.0
Mo Mo35 1 0.99767212 0.83927603 0.62530791 1.0
