Dy7Tc2Sn23Rh4
High-Entropy Materials HEAMP-ID: mp-3293355 · Space group: C2/m (#12)
Basic Information
Formula
Dy7Tc2Sn23Rh4
MP-ID
mp-3293355
Elements
4
Sites
36
Density
8.8623
g/cm³
Volume
838.57
ų
Cell a
9.8476
Å
Cell b
9.8476
Å
Cell c
9.9649
Å
α Angle
89.92
°
β Angle
90.08
°
γ Angle
119.80
°
Space Group
C2/m
Point Group
2/m
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 |
|---|---|---|---|
| 13.66 | 6.4842 | 3.4 | (1,0,-1,1) |
| 13.66 | 6.4809 | 1.8 | (1,-1,0,-1) |
| 17.80 | 4.9824 | 6.0 | (0,0,0,2) |
| 18.02 | 4.9238 | 1.1 | (2,-1,-1,0) |
| 20.79 | 4.2728 | 3.0 | (2,0,-2,0) |
| 20.85 | 4.2598 | 1.6 | (2,-2,0,0) |
| 22.64 | 3.9282 | 2.3 | (2,0,-2,-1) |
| 22.72 | 3.9145 | 1.0 | (2,-2,0,1) |
| 25.39 | 3.5076 | 1.9 | (1,1,-2,2) |
| 25.45 | 3.4996 | 1.0 | (2,-1,-1,2) |
| 26.84 | 3.3216 | 3.2 | (0,0,0,3) |
| 27.49 | 3.2448 | 4.1 | (2,0,-2,-2) |
| 27.51 | 3.2421 | 2.5 | (2,0,-2,2) |
| 27.57 | 3.2351 | 1.4 | (2,-2,0,2) |
| 28.85 | 3.0951 | 1.2 | (1,0,-1,3) |
| 29.04 | 3.0753 | 3.0 | (2,1,-3,-1) |
| 29.09 | 3.0700 | 1.5 | (1,-3,2,-1) |
| 29.09 | 3.0700 | 1.5 | (3,-1,-2,-1) |
| 29.15 | 3.0639 | 2.8 | (3,-2,-1,1) |
| 32.48 | 2.7562 | 8.7 | (1,1,-2,3) |
| 32.49 | 2.7555 | 10.6 | (2,-1,-1,-3) |
| 32.54 | 2.7518 | 10.8 | (2,-1,-1,3) |
| 32.69 | 2.7394 | 100.0 | (3,0,-3,-1) |
| 32.70 | 2.7382 | 1.5 | (3,0,-3,1) |
Energy Properties
Formation Energy/atom
-0.53529
eV/atom
Energy/atom
-26.68832
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.6883
eV/atom
Volume/atom
23.29
ų
c/a Ratio
1.0119
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0047
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 · 0.639
Element Family
PostTransition-Noble
Solute Fraction
0.361
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0094
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.3919
J/mol·K
Ω Parameter
4.6492
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.137%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3249
smaller = more stable mixing
VEC
5.778
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.864
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7281
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293355
Reference Citation
The crystal structure and related material properties of Dy7Tc2Sn23Rh4 were obtained from the Materials Project database (MP-ID: mp-3293355, 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_Dy7Tc2Sn23Rh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.84756930
_cell_length_b 9.84757002
_cell_length_c 9.96487635
_cell_angle_alpha 89.91711290
_cell_angle_beta 90.08288415
_cell_angle_gamma 119.79837970
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy7Tc2Sn23Rh4
_chemical_formula_sum 'Dy7 Tc2 Sn23 Rh4'
_cell_volume 838.56903227
_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 0.00000000 0.00000000 0.00000000 1.0
Dy Dy1 1 0.48327618 0.51672382 0.30592772 1.0
Dy Dy2 1 0.51672382 0.48327618 0.69407228 1.0
Dy Dy3 1 0.48461389 0.96457018 0.30512243 1.0
Dy Dy4 1 0.51538611 0.03542982 0.69487757 1.0
Dy Dy5 1 0.03542982 0.51538611 0.30512243 1.0
Dy Dy6 1 0.96457018 0.48461389 0.69487757 1.0
Tc Tc7 1 0.83340858 0.16659142 0.20338195 1.0
Tc Tc8 1 0.16659142 0.83340858 0.79661805 1.0
Sn Sn9 1 0.34708127 0.99530338 0.00132734 1.0
Sn Sn10 1 0.65291873 0.00469662 0.99867266 1.0
Sn Sn11 1 0.99530338 0.34708127 0.99867266 1.0
Sn Sn12 1 0.00469662 0.65291873 0.00132734 1.0
Sn Sn13 1 0.64834708 0.64834708 1.00000000 1.0
Sn Sn14 1 0.35165292 0.35165292 0.00000000 1.0
Sn Sn15 1 0.33061449 0.66938551 0.82255680 1.0
Sn Sn16 1 0.66938551 0.33061449 0.17744320 1.0
Sn Sn17 1 0.00000000 0.00000000 0.50000000 1.0
Sn Sn18 1 0.77772827 0.22227173 0.46117822 1.0
Sn Sn19 1 0.22227173 0.77772827 0.53882178 1.0
Sn Sn20 1 0.77631624 0.55290157 0.45975385 1.0
Sn Sn21 1 0.22368376 0.44709843 0.54024615 1.0
Sn Sn22 1 0.44709843 0.22368376 0.45975385 1.0
Sn Sn23 1 0.55290157 0.77631624 0.54024615 1.0
Sn Sn24 1 0.33403160 0.66596840 0.12522436 1.0
Sn Sn25 1 0.66596840 0.33403160 0.87477564 1.0
Sn Sn26 1 0.11691294 0.88308706 0.28311628 1.0
Sn Sn27 1 0.88308706 0.11691294 0.71688372 1.0
Sn Sn28 1 0.12115540 0.23615063 0.27708649 1.0
Sn Sn29 1 0.87884460 0.76384937 0.72291351 1.0
Sn Sn30 1 0.76384937 0.87884460 0.27708649 1.0
Sn Sn31 1 0.23615063 0.12115540 0.72291351 1.0
Rh Rh32 1 0.83034609 0.65909960 0.20022180 1.0
Rh Rh33 1 0.16965391 0.34090040 0.79977820 1.0
Rh Rh34 1 0.34090040 0.16965391 0.20022180 1.0
Rh Rh35 1 0.65909960 0.83034609 0.79977820 1.0
