Dy8Ta12Si15As
High-Entropy Materials HEAMP-ID: mp-3292419 · Space group: P1 (#1)
Basic Information
Formula
Dy8Ta12Si15As
MP-ID
mp-3292419
Elements
4
Sites
36
Density
10.3156
g/cm³
Volume
638.68
ų
Cell a
7.0148
Å
Cell b
7.0060
Å
Cell c
12.9957
Å
α Angle
90.05
°
β Angle
89.88
°
γ Angle
90.09
°
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 |
|---|---|---|---|
| 6.80 | 12.9956 | 1.6 | (0,0,1) |
| 14.34 | 6.1785 | 10.0 | (1,0,1) |
| 14.36 | 6.1693 | 10.4 | (0,1,-1) |
| 14.36 | 6.1673 | 4.7 | (1,0,-1) |
| 14.37 | 6.1645 | 11.0 | (0,1,1) |
| 17.88 | 4.9610 | 7.4 | (1,-1,0) |
| 17.91 | 4.9532 | 9.9 | (1,1,0) |
| 18.62 | 4.7664 | 1.1 | (0,1,-2) |
| 18.63 | 4.7620 | 2.5 | (0,1,2) |
| 22.53 | 3.9473 | 11.7 | (1,-1,2) |
| 22.56 | 3.9409 | 14.1 | (1,1,2) |
| 22.57 | 3.9390 | 9.4 | (1,-1,-2) |
| 22.58 | 3.9375 | 9.9 | (1,1,-2) |
| 24.17 | 3.6829 | 1.0 | (0,1,3) |
| 24.17 | 3.6822 | 1.1 | (1,0,-3) |
| 25.39 | 3.5074 | 7.6 | (2,0,0) |
| 25.43 | 3.5030 | 4.6 | (0,2,0) |
| 26.30 | 3.3881 | 13.0 | (2,0,1) |
| 26.33 | 3.3844 | 16.0 | (2,0,-1) |
| 26.34 | 3.3831 | 17.1 | (0,2,-1) |
| 26.36 | 3.3815 | 13.0 | (0,2,1) |
| 27.30 | 3.2665 | 46.3 | (1,-1,3) |
| 27.34 | 3.2622 | 48.7 | (1,1,3) |
| 27.36 | 3.2595 | 44.3 | (1,-1,-3) |
Energy Properties
Formation Energy/atom
-0.81234
eV/atom
Energy/atom
-28.18096
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.1810
eV/atom
Volume/atom
17.74
ų
c/a Ratio
1.8526
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0026
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 · 0.417
Element Family
Metalloid-Nonmetal
Solute Fraction
0.583
Interstitial Fraction
0.417
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1648
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6839
J/mol·K
Ω Parameter
0.7681
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.374%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2859
smaller = more stable mixing
VEC
5.639
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-27.778
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8402
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292419
Reference Citation
The crystal structure and related material properties of Dy8Ta12Si15As were obtained from the Materials Project database (MP-ID: mp-3292419, 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_Dy8Ta12Si15As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01478382
_cell_length_b 7.00597934
_cell_length_c 12.99567708
_cell_angle_alpha 90.05320730
_cell_angle_beta 89.87608024
_cell_angle_gamma 90.09012025
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy8Ta12Si15As
_chemical_formula_sum 'Dy8 Ta12 Si15 As1'
_cell_volume 638.67558728
_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
Dy Dy0 1 0.99918301 0.66030892 0.03195540 1.0
Dy Dy1 1 0.00129738 0.33997903 0.53195842 1.0
Dy Dy2 1 0.66038735 0.99878186 0.96790494 1.0
Dy Dy3 1 0.16073870 0.50105587 0.78166070 1.0
Dy Dy4 1 0.83711713 0.49787039 0.28037884 1.0
Dy Dy5 1 0.49989836 0.16089100 0.21793985 1.0
Dy Dy6 1 0.50085004 0.84064248 0.71894941 1.0
Dy Dy7 1 0.33966628 0.99939891 0.46897550 1.0
Ta Ta8 1 0.34751001 0.50798807 0.37679674 1.0
Ta Ta9 1 0.84337111 0.99696751 0.37178015 1.0
Ta Ta10 1 0.00813579 0.15385949 0.12627447 1.0
Ta Ta11 1 0.99476956 0.84679986 0.62742256 1.0
Ta Ta12 1 0.51033144 0.34418047 0.62432656 1.0
Ta Ta13 1 0.15379354 0.00810591 0.87350683 1.0
Ta Ta14 1 0.66703776 0.67039943 0.49992373 1.0
Ta Ta15 1 0.82978730 0.17043195 0.74991664 1.0
Ta Ta16 1 0.17067924 0.83007706 0.24870565 1.0
Ta Ta17 1 0.32861445 0.32910788 0.99998494 1.0
Ta Ta18 1 0.49118514 0.65387149 0.12370173 1.0
Ta Ta19 1 0.65408337 0.49188918 0.87622804 1.0
Si Si20 1 0.95532039 0.29448126 0.93671039 1.0
Si Si21 1 0.70666823 0.04318128 0.56307765 1.0
Si Si22 1 0.20473360 0.45551835 0.18682866 1.0
Si Si23 1 0.79516032 0.54480679 0.68719222 1.0
Si Si24 1 0.45529488 0.20550677 0.81371373 1.0
Si Si25 1 0.54405794 0.79524517 0.31255480 1.0
Si Si26 1 0.29429887 0.95532756 0.06282683 1.0
Si Si27 1 0.79406976 0.86709941 0.18169120 1.0
Si Si28 1 0.30288514 0.63045815 0.57215884 1.0
Si Si29 1 0.70386109 0.36651306 0.06735193 1.0
Si Si30 1 0.63268680 0.29547392 0.43220705 1.0
Si Si31 1 0.36669587 0.70413485 0.93225823 1.0
Si Si32 1 0.13395527 0.20490865 0.31760191 1.0
Si Si33 1 0.20542979 0.13358631 0.68261685 1.0
Si Si34 1 0.86733013 0.79507643 0.81777435 1.0
As As35 1 0.03911295 0.70607525 0.43515025 1.0
