Ho8Ta11Si16W
High-Entropy Materials HEAMP-ID: mp-3292808 · Space group: C2 (#5)
Basic Information
Formula
Ho8Ta11Si16W
MP-ID
mp-3292808
Elements
4
Sites
36
Density
10.3953
g/cm³
Volume
629.87
ų
Cell a
6.9791
Å
Cell b
6.9791
Å
Cell c
12.9314
Å
α Angle
90.02
°
β Angle
89.98
°
γ Angle
89.96
°
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 |
|---|---|---|---|
| 14.42 | 6.1427 | 7.7 | (1,0,1) |
| 14.42 | 6.1408 | 7.5 | (1,0,-1) |
| 17.97 | 4.9368 | 4.4 | (1,1,0) |
| 17.98 | 4.9331 | 4.5 | (1,-1,0) |
| 18.70 | 4.7439 | 1.2 | (1,0,2) |
| 18.71 | 4.7422 | 1.0 | (1,0,-2) |
| 22.66 | 3.9238 | 12.2 | (1,1,2) |
| 22.67 | 3.9229 | 5.9 | (1,-1,2) |
| 22.68 | 3.9210 | 6.3 | (1,-1,-2) |
| 25.53 | 3.4896 | 6.4 | (2,0,0) |
| 26.45 | 3.3694 | 16.7 | (2,0,1) |
| 26.46 | 3.3687 | 16.9 | (2,0,-1) |
| 27.47 | 3.2470 | 49.1 | (1,1,3) |
| 27.47 | 3.2468 | 25.3 | (1,-1,3) |
| 27.49 | 3.2451 | 24.3 | (1,-1,-3) |
| 28.59 | 3.1221 | 4.4 | (2,1,0) |
| 28.61 | 3.1202 | 4.3 | (2,-1,0) |
| 29.07 | 3.0713 | 51.9 | (2,0,2) |
| 29.08 | 3.0704 | 25.0 | (2,0,-2) |
| 29.08 | 3.0704 | 25.0 | (0,2,2) |
| 29.43 | 3.0350 | 18.4 | (2,1,1) |
| 29.43 | 3.0348 | 19.1 | (2,1,-1) |
| 29.44 | 3.0335 | 18.4 | (2,-1,1) |
| 29.45 | 3.0328 | 9.5 | (2,-1,-1) |
Energy Properties
Formation Energy/atom
-0.79466
eV/atom
Energy/atom
-28.27546
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.2755
eV/atom
Volume/atom
17.50
ų
c/a Ratio
1.8529
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0035
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
0.7548
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.331%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2963
smaller = more stable mixing
VEC
5.917
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-28.574
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-3292808
Reference Citation
The crystal structure and related material properties of Ho8Ta11Si16W were obtained from the Materials Project database (MP-ID: mp-3292808, 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_Ho8Ta11Si16W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97911871
_cell_length_b 6.97911798
_cell_length_c 12.93143918
_cell_angle_alpha 90.02084725
_cell_angle_beta 89.97915370
_cell_angle_gamma 89.95684930
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho8Ta11Si16W
_chemical_formula_sum 'Ho8 Ta11 Si16 W1'
_cell_volume 629.86547760
_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 0.33998325 0.00136644 0.46820170 1.0
Ho Ho1 1 0.49806951 0.83981213 0.71862993 1.0
Ho Ho2 1 0.50016203 0.16053160 0.21700072 1.0
Ho Ho3 1 0.83981213 0.49806951 0.28137007 1.0
Ho Ho4 1 0.16053160 0.50016203 0.78299928 1.0
Ho Ho5 1 0.65919725 0.99996845 0.96843502 1.0
Ho Ho6 1 0.00136644 0.33998325 0.53179830 1.0
Ho Ho7 1 0.99996845 0.65919725 0.03156498 1.0
Ta Ta8 1 0.17240886 0.82875361 0.24889881 1.0
Ta Ta9 1 0.82875361 0.17240886 0.75110119 1.0
Ta Ta10 1 0.67160310 0.67160310 0.50000000 1.0
Ta Ta11 1 0.15207576 0.00765411 0.87421849 1.0
Ta Ta12 1 0.49178602 0.65245993 0.12299722 1.0
Ta Ta13 1 0.50711246 0.34767952 0.62432356 1.0
Ta Ta14 1 0.65245993 0.49178602 0.87700278 1.0
Ta Ta15 1 0.34767952 0.50711246 0.37567644 1.0
Ta Ta16 1 0.84724923 0.99223781 0.37382405 1.0
Ta Ta17 1 0.00765411 0.15207576 0.12578151 1.0
Ta Ta18 1 0.99223781 0.84724923 0.62617595 1.0
Si Si19 1 0.20434463 0.13464620 0.68235254 1.0
Si Si20 1 0.36619924 0.70402624 0.93177800 1.0
Si Si21 1 0.63457405 0.29520461 0.43216196 1.0
Si Si22 1 0.70402624 0.36619924 0.06822200 1.0
Si Si23 1 0.29520461 0.63457405 0.56783804 1.0
Si Si24 1 0.79545716 0.86539826 0.18199715 1.0
Si Si25 1 0.13464620 0.20434463 0.31764746 1.0
Si Si26 1 0.86539826 0.79545716 0.81800285 1.0
Si Si27 1 0.29497955 0.95601766 0.06258521 1.0
Si Si28 1 0.54531745 0.79564834 0.31315565 1.0
Si Si29 1 0.45323958 0.20527914 0.81460134 1.0
Si Si30 1 0.79564834 0.54531745 0.68684435 1.0
Si Si31 1 0.20527914 0.45323958 0.18539866 1.0
Si Si32 1 0.70459439 0.04571023 0.56366381 1.0
Si Si33 1 0.95601766 0.29497955 0.93741479 1.0
Si Si34 1 0.04571023 0.70459439 0.43633619 1.0
W W35 1 0.32925221 0.32925221 0.00000000 1.0
