Ho8Ta5Si16W7
High-Entropy Materials HEAMP-ID: mp-3292779 · Space group: P1 (#1)
Basic Information
Formula
Ho8Ta5Si16W7
MP-ID
mp-3292779
Elements
4
Sites
36
Density
10.8022
g/cm³
Volume
608.80
ų
Cell a
6.8980
Å
Cell b
6.8946
Å
Cell c
12.8011
Å
α Angle
89.95
°
β Angle
90.08
°
γ Angle
90.01
°
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 |
|---|---|---|---|
| 14.58 | 6.0761 | 7.1 | (1,0,-1) |
| 14.59 | 6.0723 | 6.9 | (0,1,1) |
| 14.60 | 6.0689 | 7.1 | (1,0,1) |
| 14.60 | 6.0679 | 7.1 | (0,1,-1) |
| 18.19 | 4.8768 | 8.2 | (1,-1,0) |
| 18.19 | 4.8760 | 8.3 | (1,1,0) |
| 18.90 | 4.6952 | 1.1 | (1,0,-2) |
| 18.91 | 4.6928 | 1.1 | (0,1,2) |
| 18.93 | 4.6888 | 1.0 | (0,1,-2) |
| 18.93 | 4.6886 | 1.0 | (1,0,2) |
| 22.91 | 3.8821 | 11.7 | (1,-1,-2) |
| 22.92 | 3.8795 | 11.3 | (1,1,-2) |
| 22.93 | 3.8780 | 12.0 | (1,1,2) |
| 22.94 | 3.8761 | 12.4 | (1,-1,2) |
| 25.83 | 3.4490 | 4.9 | (2,0,0) |
| 25.84 | 3.4473 | 5.1 | (0,2,0) |
| 26.76 | 3.3314 | 16.0 | (2,0,-1) |
| 26.78 | 3.3294 | 16.0 | (0,2,1) |
| 26.78 | 3.3291 | 16.1 | (2,0,1) |
| 26.79 | 3.3280 | 15.7 | (0,2,-1) |
| 27.76 | 3.2139 | 58.3 | (1,-1,-3) |
| 27.78 | 3.2117 | 57.8 | (1,1,-3) |
| 27.79 | 3.2105 | 59.8 | (1,1,3) |
| 27.80 | 3.2087 | 59.9 | (1,-1,3) |
Energy Properties
Formation Energy/atom
-0.66868
eV/atom
Energy/atom
-28.61214
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.6121
eV/atom
Volume/atom
16.91
ų
c/a Ratio
1.8558
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0130
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
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
1.0990
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.330%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3872
smaller = more stable mixing
VEC
6.083
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-22.500
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-3292779
Reference Citation
The crystal structure and related material properties of Ho8Ta5Si16W7 were obtained from the Materials Project database (MP-ID: mp-3292779, 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_Ho8Ta5Si16W7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89801766
_cell_length_b 6.89456300
_cell_length_c 12.80110055
_cell_angle_alpha 89.95008316
_cell_angle_beta 90.08136395
_cell_angle_gamma 90.00879249
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho8Ta5Si16W7
_chemical_formula_sum 'Ho8 Ta5 Si16 W7'
_cell_volume 608.80435031
_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 0.33704964 0.99915648 0.46787360 1.0
Ho Ho1 1 0.50042083 0.83689162 0.71910893 1.0
Ho Ho2 1 0.49818956 0.16275973 0.21890171 1.0
Ho Ho3 1 0.83657456 0.50094379 0.28026828 1.0
Ho Ho4 1 0.16341577 0.49871781 0.78197525 1.0
Ho Ho5 1 0.66271779 0.00133314 0.96981386 1.0
Ho Ho6 1 0.99881747 0.33660406 0.53116141 1.0
Ho Ho7 1 0.00099549 0.66346772 0.03108953 1.0
Ta Ta8 1 0.33232277 0.33300401 0.00028126 1.0
Ta Ta9 1 0.16761529 0.83206805 0.24931725 1.0
Ta Ta10 1 0.83153346 0.16809763 0.75054121 1.0
Ta Ta11 1 0.66758325 0.66636807 0.49936505 1.0
Ta Ta12 1 0.99439648 0.84066690 0.62548407 1.0
Si Si13 1 0.20766382 0.12948844 0.68250213 1.0
Si Si14 1 0.37436124 0.70535358 0.93246243 1.0
Si Si15 1 0.62717383 0.29498578 0.43168241 1.0
Si Si16 1 0.70466353 0.37441539 0.06810252 1.0
Si Si17 1 0.29762333 0.62534522 0.56678171 1.0
Si Si18 1 0.79498978 0.87438266 0.18214558 1.0
Si Si19 1 0.12473446 0.20426603 0.31762803 1.0
Si Si20 1 0.87309315 0.79462296 0.81917138 1.0
Si Si21 1 0.29109369 0.96210721 0.06278799 1.0
Si Si22 1 0.53822281 0.79136440 0.31272850 1.0
Si Si23 1 0.46179776 0.20770786 0.81301401 1.0
Si Si24 1 0.79150340 0.53727782 0.68810034 1.0
Si Si25 1 0.20821727 0.46131413 0.18702632 1.0
Si Si26 1 0.70458814 0.04066766 0.56266601 1.0
Si Si27 1 0.96156421 0.29184347 0.93759190 1.0
Si Si28 1 0.04027486 0.70568900 0.43580694 1.0
W W29 1 0.16258382 0.00614947 0.87422208 1.0
W W30 1 0.49377976 0.66296520 0.12395397 1.0
W W31 1 0.50664187 0.33836493 0.62384503 1.0
W W32 1 0.66125877 0.49304649 0.87677408 1.0
W W33 1 0.33896315 0.50334131 0.37500481 1.0
W W34 1 0.83831171 0.99249043 0.37479096 1.0
W W35 1 0.00526527 0.16273256 0.12603049 1.0
