Ho8Ta9Si16W3
High-Entropy Materials HEAMP-ID: mp-3292656 · Space group: C2 (#5)
Basic Information
Formula
Ho8Ta9Si16W3
MP-ID
mp-3292656
Elements
4
Sites
36
Density
10.5357
g/cm³
Volume
622.38
ų
Cell a
6.9528
Å
Cell b
6.9528
Å
Cell c
12.8746
Å
α Angle
90.04
°
β Angle
89.96
°
γ Angle
90.01
°
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 |
|---|---|---|---|
| 14.47 | 6.1196 | 3.9 | (0,1,-1) |
| 14.47 | 6.1196 | 3.9 | (1,0,1) |
| 14.48 | 6.1159 | 7.6 | (1,0,-1) |
| 18.04 | 4.9166 | 4.8 | (1,-1,0) |
| 18.04 | 4.9162 | 5.1 | (1,1,0) |
| 18.78 | 4.7253 | 1.1 | (1,0,2) |
| 22.75 | 3.9093 | 6.0 | (1,-1,2) |
| 22.76 | 3.9071 | 12.3 | (1,1,2) |
| 22.77 | 3.9054 | 6.3 | (1,-1,-2) |
| 25.62 | 3.4764 | 6.7 | (2,0,0) |
| 26.55 | 3.3568 | 16.5 | (2,0,1) |
| 26.56 | 3.3556 | 16.7 | (2,0,-1) |
| 27.58 | 3.2348 | 26.2 | (1,-1,3) |
| 27.59 | 3.2330 | 51.8 | (1,1,3) |
| 27.60 | 3.2315 | 24.8 | (1,-1,-3) |
| 28.71 | 3.1095 | 5.0 | (2,-1,0) |
| 28.71 | 3.1093 | 4.9 | (2,1,0) |
| 29.19 | 3.0598 | 26.2 | (0,2,-2) |
| 29.19 | 3.0598 | 26.2 | (2,0,2) |
| 29.20 | 3.0579 | 50.5 | (2,0,-2) |
| 29.55 | 3.0233 | 18.5 | (2,-1,1) |
| 29.55 | 3.0226 | 18.4 | (2,1,1) |
| 29.56 | 3.0222 | 19.4 | (2,1,-1) |
| 29.56 | 3.0219 | 19.1 | (2,-1,-1) |
Energy Properties
Formation Energy/atom
-0.75455
eV/atom
Energy/atom
-28.38957
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.3896
eV/atom
Volume/atom
17.29
ų
c/a Ratio
1.8517
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0029
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 · 0.444
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
0.8873
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.335%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3362
smaller = more stable mixing
VEC
5.972
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-26.500
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-3292656
Reference Citation
The crystal structure and related material properties of Ho8Ta9Si16W3 were obtained from the Materials Project database (MP-ID: mp-3292656, 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_Ho8Ta9Si16W3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95282559
_cell_length_b 6.95282596
_cell_length_c 12.87460294
_cell_angle_alpha 90.04170423
_cell_angle_beta 89.95829518
_cell_angle_gamma 90.00525114
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho8Ta9Si16W3
_chemical_formula_sum 'Ho8 Ta9 Si16 W3'
_cell_volume 622.38097104
_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 0.33843506 0.00081535 0.46797000 1.0
Ho Ho1 1 0.49894605 0.83997545 0.71932621 1.0
Ho Ho2 1 0.49968667 0.16064289 0.21774437 1.0
Ho Ho3 1 0.83997545 0.49894605 0.28067379 1.0
Ho Ho4 1 0.16064289 0.49968667 0.78225563 1.0
Ho Ho5 1 0.66075464 0.00022376 0.96853706 1.0
Ho Ho6 1 0.00081535 0.33843506 0.53203000 1.0
Ho Ho7 1 0.00022376 0.66075464 0.03146294 1.0
Ta Ta8 1 0.67087049 0.67087049 0.50000000 1.0
Ta Ta9 1 0.15195827 0.00629392 0.87454187 1.0
Ta Ta10 1 0.49248099 0.65260159 0.12390670 1.0
Ta Ta11 1 0.50616229 0.34751093 0.62534721 1.0
Ta Ta12 1 0.65260159 0.49248099 0.87609330 1.0
Ta Ta13 1 0.34751093 0.50616229 0.37465279 1.0
Ta Ta14 1 0.84704393 0.99276881 0.37390669 1.0
Ta Ta15 1 0.00629392 0.15195827 0.12545813 1.0
Ta Ta16 1 0.99276881 0.84704393 0.62609331 1.0
Si Si17 1 0.20384990 0.13334910 0.68212287 1.0
Si Si18 1 0.36694618 0.70487023 0.93167826 1.0
Si Si19 1 0.63409988 0.29500410 0.43227655 1.0
Si Si20 1 0.70487023 0.36694618 0.06832174 1.0
Si Si21 1 0.29500410 0.63409988 0.56772345 1.0
Si Si22 1 0.79549261 0.86680782 0.18167152 1.0
Si Si23 1 0.13334910 0.20384990 0.31787713 1.0
Si Si24 1 0.86680782 0.79549261 0.81832848 1.0
Si Si25 1 0.29538337 0.95589231 0.06412293 1.0
Si Si26 1 0.54301013 0.79557373 0.31315480 1.0
Si Si27 1 0.45485206 0.20507229 0.81496365 1.0
Si Si28 1 0.79557373 0.54301013 0.68684520 1.0
Si Si29 1 0.20507229 0.45485206 0.18503635 1.0
Si Si30 1 0.70449540 0.04607403 0.56515590 1.0
Si Si31 1 0.95589231 0.29538337 0.93587707 1.0
Si Si32 1 0.04607403 0.70449540 0.43484410 1.0
W W33 1 0.33051433 0.33051433 0.00000000 1.0
W W34 1 0.17102890 0.83050952 0.24872283 1.0
W W35 1 0.83050952 0.17102890 0.75127717 1.0
