Nd18Dy2Ir7Pt5
高熵材料 HEAMP-ID: mp-3293642 · Space group: C2 (#5)
Basic Information
Formula
Nd18Dy2Ir7Pt5
MP-ID
mp-3293642
Elements
4
Sites
32
Density
10.4992
g/cm³
Volume
829.11
ų
Cell a
11.2991
Å
Cell b
11.2991
Å
Cell c
6.4943
Å
α Angle
90.07
°
β Angle
90.07
°
γ Angle
89.82
°
Space Group
C2
Point Group
2
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 |
|---|---|---|---|
| 7.82 | 11.2990 | 3.3 | (1,0,0) |
| 11.06 | 8.0025 | 2.9 | (1,1,0) |
| 11.09 | 7.9768 | 2.3 | (1,-1,0) |
| 15.69 | 5.6495 | 15.8 | (2,0,0) |
| 22.22 | 4.0012 | 10.2 | (2,2,0) |
| 22.26 | 3.9945 | 23.4 | (2,1,-1) |
| 22.29 | 3.9884 | 10.3 | (2,-2,0) |
| 22.29 | 3.9881 | 22.7 | (2,1,1) |
| 22.30 | 3.9860 | 22.9 | (2,-1,-1) |
| 22.32 | 3.9838 | 21.8 | (2,-1,1) |
| 24.90 | 3.5765 | 2.1 | (3,1,0) |
| 24.94 | 3.5696 | 2.2 | (3,-1,0) |
| 27.47 | 3.2471 | 7.6 | (0,0,2) |
| 28.47 | 3.1349 | 34.4 | (3,1,-1) |
| 28.51 | 3.1308 | 28.5 | (3,1,1) |
| 28.52 | 3.1293 | 32.8 | (3,-1,-1) |
| 28.54 | 3.1272 | 31.6 | (3,-1,1) |
| 28.59 | 3.1219 | 7.0 | (1,0,-2) |
| 28.61 | 3.1198 | 8.0 | (1,0,2) |
| 31.64 | 2.8277 | 32.2 | (3,2,-1) |
| 31.69 | 2.8239 | 37.8 | (3,2,1) |
| 31.74 | 2.8194 | 33.5 | (3,-2,-1) |
| 31.75 | 2.8186 | 33.9 | (3,-2,1) |
| 31.77 | 2.8168 | 26.9 | (2,0,-2) |
Energy Properties
Formation Energy/atom
-0.87107
eV/atom
Energy/atom
-38.91613
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.9161
eV/atom
Volume/atom
25.91
ų
c/a Ratio
0.5748
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0040
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nd · 0.563
Element Family
Lanthanide
Solute Fraction
0.438
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1194
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3070
J/mol·K
Ω Parameter
0.3572
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.681%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5263
smaller = more stable mixing
VEC
5.844
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-45.664
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8075
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293642
Reference Citation
The crystal structure and related material properties of Nd18Dy2Ir7Pt5 were obtained from the Materials Project database (MP-ID: mp-3293642, 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_Nd18Dy2Ir7Pt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.29907382
_cell_length_b 11.29907379
_cell_length_c 6.49428404
_cell_angle_alpha 90.07111608
_cell_angle_beta 90.07111610
_cell_angle_gamma 89.81589052
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd18Dy2Ir7Pt5
_chemical_formula_sum 'Nd18 Dy2 Ir7 Pt5'
_cell_volume 829.11364232
_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
Nd Nd0 1 0.29621958 0.09115046 0.37591306 1.0
Nd Nd1 1 0.29709510 0.90754149 0.87485260 1.0
Nd Nd2 1 0.70301094 0.08723332 0.87489760 1.0
Nd Nd3 1 0.70225335 0.90724090 0.37517729 1.0
Nd Nd4 1 0.58659038 0.78649424 0.88271734 1.0
Nd Nd5 1 0.58498452 0.20953070 0.37767773 1.0
Nd Nd6 1 0.41232504 0.78863159 0.38206614 1.0
Nd Nd7 1 0.40965595 0.21007276 0.88328058 1.0
Nd Nd8 1 0.21350576 0.41340962 0.61728266 1.0
Nd Nd9 1 0.21136841 0.58767496 0.11793386 1.0
Nd Nd10 1 0.79046930 0.41501548 0.12232227 1.0
Nd Nd11 1 0.78992724 0.59034405 0.61671942 1.0
Nd Nd12 1 0.90884954 0.70378042 0.12408694 1.0
Nd Nd13 1 0.91276668 0.29698906 0.62510240 1.0
Nd Nd14 1 0.09245851 0.70290490 0.62514740 1.0
Nd Nd15 1 0.09275910 0.29774665 0.12482271 1.0
Nd Nd16 1 0.99909050 0.99927393 0.49943540 1.0
Nd Nd17 1 0.00072607 0.00090950 0.00056460 1.0
Dy Dy18 1 0.49798745 0.50048970 0.00095142 1.0
Dy Dy19 1 0.49951030 0.50201255 0.49904858 1.0
Ir Ir20 1 0.64869400 0.64706964 0.24959909 1.0
Ir Ir21 1 0.35293036 0.35130600 0.25040091 1.0
Ir Ir22 1 0.35120448 0.64879552 0.75000000 1.0
Ir Ir23 1 0.50007628 0.00012241 0.11538742 1.0
Ir Ir24 1 0.49972763 0.00073717 0.61669534 1.0
Ir Ir25 1 0.99926283 0.50027237 0.88330466 1.0
Ir Ir26 1 0.99987759 0.49992372 0.38461258 1.0
Pt Pt27 1 0.84526945 0.15473055 0.25000000 1.0
Pt Pt28 1 0.84571806 0.84693958 0.75067388 1.0
Pt Pt29 1 0.15306042 0.15428194 0.74932612 1.0
Pt Pt30 1 0.15401928 0.84598072 0.25000000 1.0
Pt Pt31 1 0.64860190 0.35139810 0.75000000 1.0
