Dy6Mn5P12Ir13
High-Entropy Materials HEAMP-ID: mp-3292180 · Space group: Pm (#6)
Basic Information
Formula
Dy6Mn5P12Ir13
MP-ID
mp-3292180
Elements
4
Sites
36
Density
12.3750
g/cm³
Volume
552.87
ų
Cell a
3.9220
Å
Cell b
11.0517
Å
Cell c
12.7553
Å
α Angle
90.22
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 6.93 | 12.7552 | 22.2 | (0,0,1) |
| 8.00 | 11.0516 | 2.9 | (0,1,0) |
| 10.57 | 8.3682 | 1.1 | (0,1,-1) |
| 10.61 | 8.3369 | 3.0 | (0,1,1) |
| 16.02 | 5.5329 | 3.5 | (0,1,-2) |
| 16.04 | 5.5258 | 9.5 | (0,2,0) |
| 20.89 | 4.2517 | 5.5 | (0,0,3) |
| 21.23 | 4.1841 | 2.5 | (0,2,-2) |
| 21.32 | 4.1684 | 2.6 | (0,2,2) |
| 23.73 | 3.7488 | 2.0 | (1,0,1) |
| 25.08 | 3.5513 | 1.8 | (1,1,-1) |
| 25.09 | 3.5489 | 2.4 | (1,1,1) |
| 25.14 | 3.5428 | 4.3 | (0,3,-1) |
| 25.19 | 3.5356 | 3.0 | (0,3,1) |
| 26.68 | 3.3408 | 1.8 | (1,0,2) |
| 27.88 | 3.1997 | 2.8 | (1,1,-2) |
| 27.92 | 3.1962 | 3.8 | (1,1,2) |
| 27.92 | 3.1952 | 13.1 | (0,3,-2) |
| 27.98 | 3.1888 | 19.5 | (0,0,4) |
| 28.02 | 3.1847 | 17.3 | (0,3,2) |
| 28.76 | 3.1039 | 16.6 | (1,2,-1) |
| 28.79 | 3.1007 | 9.2 | (1,2,1) |
| 31.02 | 2.8828 | 17.9 | (1,0,3) |
| 31.32 | 2.8564 | 5.3 | (1,2,2) |
Energy Properties
Formation Energy/atom
-1.04427
eV/atom
Energy/atom
-30.32216
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.3222
eV/atom
Volume/atom
15.36
ų
c/a Ratio
3.2522
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.5769
μB
Mag. Ordering
FiM
Mag. Sites
5
Magnetization/Volume
0.001040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ir · 0.361
Element Family
5d-TM
Solute Fraction
0.639
Interstitial Fraction
0.333
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3068
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.8649
J/mol·K
Ω Parameter
5.0115
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.497%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3908
smaller = more stable mixing
VEC
7.556
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.438
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9427
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292180
Reference Citation
The crystal structure and related material properties of Dy6Mn5P12Ir13 were obtained from the Materials Project database (MP-ID: mp-3292180, 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…
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Raw CIF Data
# generated using pymatgen
data_Dy6Mn5P12Ir13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92200531
_cell_length_b 11.05168275
_cell_length_c 12.75526083
_cell_angle_alpha 90.21738777
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy6Mn5P12Ir13
_chemical_formula_sum 'Dy6 Mn5 P12 Ir13'
_cell_volume 552.86971926
_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 0.50093116 0.52050456 1.0
Dy Dy1 1 0.50000000 0.99837329 0.47960193 1.0
Dy Dy2 1 0.50000000 0.82167045 0.20019435 1.0
Dy Dy3 1 0.50000000 0.17973453 0.20444489 1.0
Dy Dy4 1 0.00000000 0.67831653 0.79692967 1.0
Dy Dy5 1 0.00000000 0.32028381 0.79508804 1.0
Mn Mn6 1 0.50000000 0.49715250 0.16599172 1.0
Mn Mn7 1 0.00000000 0.00220463 0.83831434 1.0
Mn Mn8 1 0.00000000 0.49450439 0.98866985 1.0
Mn Mn9 1 0.50000000 0.00260436 0.00975629 1.0
Mn Mn10 1 0.50000000 0.33533453 0.99705136 1.0
P P11 1 0.50000000 0.49495393 0.87832368 1.0
P P12 1 0.00000000 0.00320950 0.11853223 1.0
P P13 1 0.50000000 0.49971386 0.35373402 1.0
P P14 1 0.00000000 0.99891767 0.64877830 1.0
P P15 1 0.50000000 0.31245744 0.61852796 1.0
P P16 1 0.50000000 0.68709896 0.61754963 1.0
P P17 1 0.00000000 0.18594573 0.38252943 1.0
P P18 1 0.00000000 0.81446540 0.37940239 1.0
P P19 1 0.50000000 0.84519988 0.89503659 1.0
P P20 1 0.50000000 0.15533491 0.89248718 1.0
P P21 1 0.00000000 0.65362940 0.10254692 1.0
P P22 1 0.00000000 0.34789405 0.11300215 1.0
Ir Ir23 1 0.50000000 0.49991984 0.69654945 1.0
Ir Ir24 1 0.00000000 0.00184900 0.29965673 1.0
Ir Ir25 1 0.50000000 0.65985172 0.99365058 1.0
Ir Ir26 1 0.00000000 0.17134734 0.00487533 1.0
Ir Ir27 1 0.00000000 0.83809850 0.00495119 1.0
Ir Ir28 1 0.50000000 0.29121419 0.43251819 1.0
Ir Ir29 1 0.50000000 0.70477296 0.42911873 1.0
Ir Ir30 1 0.00000000 0.20477521 0.57049234 1.0
Ir Ir31 1 0.00000000 0.79505749 0.56819524 1.0
Ir Ir32 1 0.50000000 0.86963288 0.71513359 1.0
Ir Ir33 1 0.50000000 0.12552439 0.71222386 1.0
Ir Ir34 1 0.00000000 0.63159780 0.28154846 1.0
Ir Ir35 1 0.00000000 0.37642878 0.29408883 1.0
