Dy8Tm7Sc5Sn16
High-Entropy Materials HEAMP-ID: mp-3296222 · Space group: P1 (#1)
Basic Information
Formula
Dy8Tm7Sc5Sn16
MP-ID
mp-3296222
Elements
4
Sites
36
Density
8.0689
g/cm³
Volume
948.03
ų
Cell a
7.8385
Å
Cell b
7.9630
Å
Cell c
15.1886
Å
α Angle
90.07
°
β Angle
89.74
°
γ Angle
90.06
°
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 |
|---|---|---|---|
| 5.82 | 15.1884 | 7.2 | (0,0,1) |
| 11.11 | 7.9630 | 2.2 | (0,1,0) |
| 11.29 | 7.8384 | 2.2 | (1,0,0) |
| 11.65 | 7.5942 | 5.0 | (0,0,2) |
| 12.56 | 7.0491 | 3.4 | (0,1,1) |
| 12.69 | 6.9785 | 1.8 | (1,0,1) |
| 12.73 | 6.9527 | 1.5 | (1,0,-1) |
| 15.87 | 5.5831 | 1.9 | (1,1,0) |
| 16.12 | 5.4990 | 1.1 | (0,1,-2) |
| 16.21 | 5.4667 | 1.1 | (1,0,2) |
| 16.29 | 5.4419 | 1.0 | (1,0,-2) |
| 16.88 | 5.2522 | 15.8 | (1,-1,1) |
| 16.91 | 5.2444 | 5.5 | (1,1,1) |
| 16.93 | 5.2383 | 7.5 | (1,-1,-1) |
| 16.93 | 5.2362 | 8.3 | (1,1,-1) |
| 17.52 | 5.0628 | 1.1 | (0,0,3) |
| 19.68 | 4.5102 | 1.9 | (1,-1,2) |
| 19.71 | 4.5035 | 4.3 | (1,1,2) |
| 19.76 | 4.4927 | 2.7 | (1,-1,-2) |
| 20.78 | 4.2747 | 1.1 | (0,1,-3) |
| 20.80 | 4.2701 | 1.8 | (0,1,3) |
| 22.33 | 3.9815 | 8.3 | (0,2,0) |
| 22.69 | 3.9192 | 2.6 | (2,0,0) |
| 23.42 | 3.7991 | 7.4 | (2,0,1) |
Energy Properties
Formation Energy/atom
-0.84940
eV/atom
Energy/atom
-27.36699
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.3670
eV/atom
Volume/atom
26.33
ų
c/a Ratio
1.9377
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0052
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
Sn · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
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
1.9700
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.849%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3476
smaller = more stable mixing
VEC
6.944
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.537
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9286
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296222
Reference Citation
The crystal structure and related material properties of Dy8Tm7Sc5Sn16 were obtained from the Materials Project database (MP-ID: mp-3296222, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Dy8Tm7Sc5Sn16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83850364
_cell_length_b 7.96302030
_cell_length_c 15.18859545
_cell_angle_alpha 90.06871390
_cell_angle_beta 89.73926993
_cell_angle_gamma 90.06205530
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy8Tm7Sc5Sn16
_chemical_formula_sum 'Dy8 Tm7 Sc5 Sn16'
_cell_volume 948.03318867
_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 0.52220182 0.32088714 0.90337168 1.0
Dy Dy1 1 0.02481398 0.17927449 0.59789222 1.0
Dy Dy2 1 0.47627506 0.67925260 0.40303199 1.0
Dy Dy3 1 0.97672510 0.81993289 0.09611294 1.0
Dy Dy4 1 0.47846106 0.67970963 0.09508211 1.0
Dy Dy5 1 0.97575831 0.82010072 0.40269476 1.0
Dy Dy6 1 0.52422237 0.32043881 0.59874011 1.0
Dy Dy7 1 0.02095663 0.17880982 0.90339623 1.0
Tm Tm8 1 0.86554635 0.66066584 0.62464541 1.0
Tm Tm9 1 0.63474499 0.15981808 0.37685267 1.0
Tm Tm10 1 0.13818866 0.33883671 0.12136806 1.0
Tm Tm11 1 0.63551472 0.16149703 0.12365628 1.0
Tm Tm12 1 0.13433934 0.33950092 0.37683051 1.0
Tm Tm13 1 0.36599274 0.84008445 0.62358688 1.0
Tm Tm14 1 0.86482285 0.66083402 0.87720454 1.0
Sc Sc15 1 0.36230441 0.83987594 0.87404562 1.0
Sc Sc16 1 0.19520001 0.50528380 0.75070479 1.0
Sc Sc17 1 0.69351426 0.99468595 0.75075208 1.0
Sc Sc18 1 0.80604969 0.49482094 0.24997005 1.0
Sc Sc19 1 0.30565926 0.00444661 0.24958709 1.0
Sn Sn20 1 0.29753584 0.03434213 0.03971143 1.0
Sn Sn21 1 0.79337183 0.46343104 0.45695011 1.0
Sn Sn22 1 0.70768687 0.96354568 0.54436957 1.0
Sn Sn23 1 0.20815494 0.54374466 0.95510218 1.0
Sn Sn24 1 0.69592848 0.96116727 0.95588806 1.0
Sn Sn25 1 0.20658962 0.53605320 0.54441385 1.0
Sn Sn26 1 0.29319303 0.03629230 0.45622344 1.0
Sn Sn27 1 0.79612262 0.46217647 0.04341334 1.0
Sn Sn28 1 0.55618526 0.62419886 0.75224783 1.0
Sn Sn29 1 0.05998286 0.87875292 0.75190379 1.0
Sn Sn30 1 0.44214369 0.37924062 0.25005899 1.0
Sn Sn31 1 0.94280166 0.12168297 0.24923622 1.0
Sn Sn32 1 0.33193334 0.15126551 0.75169602 1.0
Sn Sn33 1 0.83152521 0.34632133 0.75094571 1.0
Sn Sn34 1 0.66811417 0.84589484 0.24929732 1.0
Sn Sn35 1 0.16743796 0.65313279 0.24901712 1.0
