Dy8ReSi16Tc11
High-Entropy Materials HEAMP-ID: mp-3294507 · Space group: P1 (#1)
Basic Information
Formula
Dy8ReSi16Tc11
MP-ID
mp-3294507
Elements
4
Sites
36
Density
8.6549
g/cm³
Volume
578.19
ų
Cell a
6.7461
Å
Cell b
6.7439
Å
Cell c
12.7090
Å
α Angle
89.94
°
β Angle
89.84
°
γ Angle
89.89
°
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 |
|---|---|---|---|
| 6.96 | 12.7089 | 10.6 | (0,0,1) |
| 13.12 | 6.7460 | 3.0 | (1,0,0) |
| 13.13 | 6.7439 | 2.7 | (0,1,0) |
| 13.94 | 6.3545 | 2.6 | (0,0,2) |
| 14.85 | 5.9655 | 2.5 | (1,0,1) |
| 14.87 | 5.9595 | 3.7 | (0,1,1) |
| 14.88 | 5.9547 | 3.7 | (0,1,-1) |
| 14.88 | 5.9518 | 4.5 | (1,0,-1) |
| 18.59 | 4.7739 | 8.6 | (1,1,0) |
| 18.62 | 4.7649 | 7.0 | (1,-1,0) |
| 19.16 | 4.6319 | 1.0 | (1,0,2) |
| 19.18 | 4.6271 | 1.4 | (0,1,2) |
| 19.20 | 4.6226 | 1.4 | (0,1,-2) |
| 19.22 | 4.6191 | 2.0 | (1,0,-2) |
| 19.85 | 4.4729 | 6.8 | (1,1,1) |
| 19.88 | 4.4651 | 4.9 | (1,1,-1) |
| 19.89 | 4.4635 | 4.3 | (1,-1,1) |
| 19.91 | 4.4598 | 9.6 | (1,-1,-1) |
| 20.97 | 4.2363 | 1.2 | (0,0,3) |
| 23.32 | 3.8145 | 6.0 | (1,-1,2) |
| 23.34 | 3.8119 | 5.7 | (1,1,-2) |
| 23.35 | 3.8099 | 1.2 | (1,-1,-2) |
| 24.79 | 3.5921 | 4.6 | (1,0,3) |
| 24.81 | 3.5888 | 4.8 | (0,1,3) |
Energy Properties
Formation Energy/atom
-0.76028
eV/atom
Energy/atom
-21.15630
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.1563
eV/atom
Volume/atom
16.06
ų
c/a Ratio
1.8839
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0067
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
193.8306
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.428%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2827
smaller = more stable mixing
VEC
5.722
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.097
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8342
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294507
Reference Citation
The crystal structure and related material properties of Dy8ReSi16Tc11 were obtained from the Materials Project database (MP-ID: mp-3294507, 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_Dy8ReSi16Tc11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74605160
_cell_length_b 6.74387800
_cell_length_c 12.70896944
_cell_angle_alpha 89.94384193
_cell_angle_beta 89.84103621
_cell_angle_gamma 89.89274830
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy8ReSi16Tc11
_chemical_formula_sum 'Dy8 Re1 Si16 Tc11'
_cell_volume 578.18531973
_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 0.00841735 0.66505929 0.03144036 1.0
Dy Dy1 1 0.99122045 0.33689144 0.53179278 1.0
Dy Dy2 1 0.66235473 0.00945467 0.96791869 1.0
Dy Dy3 1 0.16155665 0.49392946 0.78091127 1.0
Dy Dy4 1 0.83867631 0.50723978 0.28160569 1.0
Dy Dy5 1 0.49410134 0.16306414 0.21921767 1.0
Dy Dy6 1 0.50660857 0.83812507 0.71878543 1.0
Dy Dy7 1 0.33615331 0.99179612 0.46883840 1.0
Re Re8 1 0.68677444 0.52029818 0.88246190 1.0
Si Si9 1 0.01798376 0.72501557 0.43967567 1.0
Si Si10 1 0.97997810 0.27881966 0.93962563 1.0
Si Si11 1 0.72550991 0.01626162 0.55943389 1.0
Si Si12 1 0.22647182 0.48073642 0.18839378 1.0
Si Si13 1 0.76847567 0.51563597 0.68999976 1.0
Si Si14 1 0.48342366 0.23108562 0.80893476 1.0
Si Si15 1 0.51907834 0.77367124 0.31096112 1.0
Si Si16 1 0.27865359 0.98063311 0.06217587 1.0
Si Si17 1 0.80639099 0.88533232 0.18624569 1.0
Si Si18 1 0.30498748 0.61209938 0.56392097 1.0
Si Si19 1 0.69680703 0.38560876 0.06531972 1.0
Si Si20 1 0.61393424 0.30413318 0.43511203 1.0
Si Si21 1 0.38539639 0.69635496 0.93587546 1.0
Si Si22 1 0.11430230 0.19319234 0.31335772 1.0
Si Si23 1 0.19221632 0.11257401 0.68669399 1.0
Si Si24 1 0.88680562 0.80731399 0.81397252 1.0
Tc Tc25 1 0.31632054 0.48105057 0.37926097 1.0
Tc Tc26 1 0.81663566 0.01564403 0.36905474 1.0
Tc Tc27 1 0.98496908 0.18051180 0.12882931 1.0
Tc Tc28 1 0.01556964 0.81431935 0.63020395 1.0
Tc Tc29 1 0.47906290 0.31052760 0.61724876 1.0
Tc Tc30 1 0.18173804 0.98750111 0.87228997 1.0
Tc Tc31 1 0.66342537 0.66381054 0.49965152 1.0
Tc Tc32 1 0.83400348 0.16578978 0.75012293 1.0
Tc Tc33 1 0.16591738 0.83499888 0.24972975 1.0
Tc Tc34 1 0.33608336 0.33789219 0.00082573 1.0
Tc Tc35 1 0.51999216 0.68363087 0.12010757 1.0
