Dy5Ti2P12Rh17
High-Entropy Materials HEAMP-ID: mp-3294266 · Space group: Amm2 (#38)
Basic Information
Formula
Dy5Ti2P12Rh17
MP-ID
mp-3294266
Elements
4
Sites
36
Density
9.3523
g/cm³
Volume
537.87
ų
Cell a
12.6890
Å
Cell b
12.5559
Å
Cell c
3.8848
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.65
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 8.02 | 11.0271 | 2.1 | (1,0,0) |
| 16.08 | 5.5136 | 1.6 | (2,0,0) |
| 16.25 | 5.4557 | 3.5 | (0,2,0) |
| 24.32 | 3.6598 | 2.3 | (0,1,1) |
| 26.91 | 3.3130 | 4.9 | (1,1,1) |
| 26.99 | 3.3035 | 4.2 | (1,-2,1) |
| 28.13 | 3.1720 | 14.9 | (2,2,0) |
| 28.20 | 3.1645 | 1.1 | (0,2,1) |
| 28.43 | 3.1390 | 7.3 | (2,-4,0) |
| 29.42 | 3.0361 | 1.4 | (1,3,0) |
| 31.50 | 2.8398 | 1.9 | (2,1,1) |
| 31.57 | 2.8338 | 5.1 | (1,2,1) |
| 31.69 | 2.8238 | 3.0 | (1,-3,1) |
| 33.56 | 2.6700 | 3.6 | (3,0,1) |
| 33.76 | 2.6551 | 3.6 | (0,3,1) |
| 35.57 | 2.5241 | 1.0 | (3,2,0) |
| 35.57 | 2.5241 | 1.0 | (5,-2,0) |
| 35.67 | 2.5171 | 1.2 | (2,3,0) |
| 35.67 | 2.5171 | 1.2 | (5,-3,0) |
| 36.00 | 2.4951 | 3.1 | (2,-5,0) |
| 36.57 | 2.4570 | 100.0 | (2,2,1) |
| 36.81 | 2.4416 | 48.3 | (2,-4,1) |
| 37.39 | 2.4051 | 5.8 | (4,1,0) |
| 37.44 | 2.4018 | 3.4 | (3,1,1) |
Energy Properties
Formation Energy/atom
-1.21426
eV/atom
Energy/atom
-20.77329
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.7733
eV/atom
Volume/atom
14.94
ų
c/a Ratio
0.3062
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.6367
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.001180
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.472
Element Family
4d-TM
Solute Fraction
0.528
Interstitial Fraction
0.333
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1553
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6049
J/mol·K
Ω Parameter
5.0643
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.703%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3762
smaller = more stable mixing
VEC
7.528
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.851
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8334
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294266
Reference Citation
The crystal structure and related material properties of Dy5Ti2P12Rh17 were obtained from the Materials Project database (MP-ID: mp-3294266, 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_Dy5Ti2P12Rh17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.68895011
_cell_length_b 12.55591242
_cell_length_c 3.88477484
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.65376717
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy5Ti2P12Rh17
_chemical_formula_sum 'Dy5 Ti2 P12 Rh17'
_cell_volume 537.86724881
_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 0.66144288 0.33070151 0.00000000 1.0
Dy Dy1 1 0.33855712 0.66925963 0.00000000 1.0
Dy Dy2 1 0.18984955 0.18785272 0.50000000 1.0
Dy Dy3 1 0.81015045 0.99800317 0.50000000 1.0
Dy Dy4 1 1.00000000 0.81124042 0.50000000 1.0
Ti Ti5 1 0.55484993 0.55404628 0.00000000 1.0
Ti Ti6 1 0.44515007 0.99919835 0.00000000 1.0
P P7 1 0.36052136 0.36231119 0.00000000 1.0
P P8 1 0.63947864 0.00179083 0.00000000 1.0
P P9 1 0.00000000 0.63881064 0.00000000 1.0
P P10 1 0.82906946 0.31270224 0.50000000 1.0
P P11 1 0.68249997 0.51530311 0.50000000 1.0
P P12 1 0.48074725 0.16307430 0.50000000 1.0
P P13 1 0.31750003 0.83280315 0.50000000 1.0
P P14 1 0.51925275 0.68232806 0.50000000 1.0
P P15 1 0.17093054 0.48363378 0.50000000 1.0
P P16 1 0.82475816 0.82455425 0.00000000 1.0
P P17 1 0.17524184 0.99979408 0.00000000 1.0
P P18 1 1.00000000 0.18234246 0.00000000 1.0
Rh Rh19 1 1.00000000 0.45789949 0.00000000 1.0
Rh Rh20 1 0.82260985 0.20172834 0.00000000 1.0
Rh Rh21 1 0.80492037 0.62366143 0.00000000 1.0
Rh Rh22 1 0.37150379 0.17591184 0.00000000 1.0
Rh Rh23 1 0.19507963 0.81874106 0.00000000 1.0
Rh Rh24 1 0.62849621 0.80440805 0.00000000 1.0
Rh Rh25 1 0.17739015 0.37911849 0.00000000 1.0
Rh Rh26 1 0.64291806 0.12738566 0.50000000 1.0
Rh Rh27 1 0.86546532 0.50786824 0.50000000 1.0
Rh Rh28 1 0.48770876 0.35449746 0.50000000 1.0
Rh Rh29 1 0.13453468 0.64240392 0.50000000 1.0
Rh Rh30 1 0.51229124 0.86678870 0.50000000 1.0
Rh Rh31 1 0.35708194 0.48446860 0.50000000 1.0
Rh Rh32 1 0.72031970 0.71796867 0.50000000 1.0
Rh Rh33 1 0.27968030 0.99764797 0.50000000 1.0
Rh Rh34 1 1.00000000 0.28591527 0.50000000 1.0
Rh Rh35 1 0.00000000 0.00383565 0.00000000 1.0
