Dy19MgIr7Pt5
High-Entropy Materials HEAMP-ID: mp-3295247 · Space group: P1 (#1)
Basic Information
Formula
Dy19MgIr7Pt5
MP-ID
mp-3295247
Elements
4
Sites
32
Density
12.0603
g/cm³
Volume
748.01
ų
Cell a
10.8930
Å
Cell b
10.8901
Å
Cell c
6.3057
Å
α Angle
90.02
°
β Angle
89.99
°
γ Angle
89.79
°
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 |
|---|---|---|---|
| 8.12 | 10.8929 | 6.7 | (1,0,0) |
| 8.12 | 10.8900 | 6.5 | (0,1,0) |
| 11.47 | 7.7154 | 24.7 | (1,1,0) |
| 11.51 | 7.6875 | 22.0 | (1,-1,0) |
| 14.04 | 6.3057 | 2.2 | (0,0,1) |
| 16.24 | 5.4579 | 1.9 | (1,0,1) |
| 16.24 | 5.4577 | 2.2 | (0,1,-1) |
| 16.24 | 5.4567 | 1.6 | (1,0,-1) |
| 16.25 | 5.4562 | 1.8 | (0,1,1) |
| 16.27 | 5.4465 | 4.5 | (2,0,0) |
| 16.28 | 5.4450 | 4.8 | (0,2,0) |
| 18.17 | 4.8826 | 1.1 | (1,1,-1) |
| 18.17 | 4.8824 | 1.2 | (1,1,1) |
| 18.19 | 4.8783 | 1.2 | (2,1,0) |
| 18.19 | 4.8775 | 1.2 | (1,2,0) |
| 18.20 | 4.8745 | 1.6 | (1,-1,-1) |
| 18.24 | 4.8642 | 1.2 | (2,-1,0) |
| 18.24 | 4.8634 | 1.2 | (1,-2,0) |
| 23.05 | 3.8586 | 20.2 | (2,1,1) |
| 23.05 | 3.8584 | 22.2 | (1,2,-1) |
| 23.05 | 3.8583 | 21.4 | (2,1,-1) |
| 23.06 | 3.8577 | 8.7 | (2,2,0) |
| 23.06 | 3.8577 | 21.2 | (1,2,1) |
| 23.09 | 3.8521 | 20.3 | (2,-1,1) |
Energy Properties
Formation Energy/atom
-1.02478
eV/atom
Energy/atom
-39.64283
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.6428
eV/atom
Volume/atom
23.38
ų
c/a Ratio
0.5789
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0929
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000120
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.594
Element Family
Lanthanide
Solute Fraction
0.406
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0403
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6493
J/mol·K
Ω Parameter
2.8321
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.299%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4892
smaller = more stable mixing
VEC
9.531
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.938
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7504
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295247
Reference Citation
The crystal structure and related material properties of Dy19MgIr7Pt5 were obtained from the Materials Project database (MP-ID: mp-3295247, 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_Dy19MgIr7Pt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.89299591
_cell_length_b 10.89005160
_cell_length_c 6.30573047
_cell_angle_alpha 90.01839979
_cell_angle_beta 89.98612255
_cell_angle_gamma 89.79238912
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy19MgIr7Pt5
_chemical_formula_sum 'Dy19 Mg1 Ir7 Pt5'
_cell_volume 748.01411903
_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 0.28842468 0.08400308 0.38116982 1.0
Dy Dy1 1 0.29430577 0.90629070 0.88031395 1.0
Dy Dy2 1 0.70511759 0.08872946 0.87942912 1.0
Dy Dy3 1 0.71056595 0.91487384 0.37993844 1.0
Dy Dy4 1 0.58873941 0.79067763 0.88498689 1.0
Dy Dy5 1 0.58071713 0.20617543 0.37886937 1.0
Dy Dy6 1 0.41665950 0.79188418 0.38207149 1.0
Dy Dy7 1 0.40756042 0.20616831 0.88638261 1.0
Dy Dy8 1 0.20998353 0.41775447 0.61736199 1.0
Dy Dy9 1 0.20764954 0.58976513 0.11545776 1.0
Dy Dy10 1 0.79490020 0.41250726 0.11868953 1.0
Dy Dy11 1 0.79311626 0.58648974 0.61578565 1.0
Dy Dy12 1 0.90695790 0.70580221 0.11908960 1.0
Dy Dy13 1 0.92013476 0.28881058 0.61962279 1.0
Dy Dy14 1 0.08455203 0.71155414 0.61968039 1.0
Dy Dy15 1 0.09450885 0.29515444 0.12047184 1.0
Dy Dy16 1 0.99976816 0.00083604 0.00171992 1.0
Dy Dy17 1 0.49841035 0.50027346 0.99979346 1.0
Dy Dy18 1 0.49944305 0.50180190 0.49864534 1.0
Mg Mg19 1 0.99975723 0.00001795 0.50101437 1.0
Ir Ir20 1 0.65401130 0.65352460 0.25245209 1.0
Ir Ir21 1 0.34748790 0.34473524 0.25358508 1.0
Ir Ir22 1 0.34424661 0.65408333 0.74606763 1.0
Ir Ir23 1 0.49983970 0.99969900 0.12677020 1.0
Ir Ir24 1 0.49970539 0.99989073 0.62764901 1.0
Ir Ir25 1 0.00003724 0.50027248 0.87151863 1.0
Ir Ir26 1 0.00017823 0.50017603 0.37390377 1.0
Pt Pt27 1 0.84734398 0.15471514 0.24984153 1.0
Pt Pt28 1 0.84599675 0.85082045 0.75125254 1.0
Pt Pt29 1 0.15313963 0.15055655 0.75132624 1.0
Pt Pt30 1 0.15018382 0.84653885 0.24951387 1.0
Pt Pt31 1 0.65655812 0.34541563 0.74562308 1.0
