La16Dy4Ir7Pt5
High-Entropy Materials HEAMP-ID: mp-3292389 · Space group: C2 (#5)
Basic Information
Formula
La16Dy4Ir7Pt5
MP-ID
mp-3292389
Elements
4
Sites
32
Density
10.0837
g/cm³
Volume
855.23
ų
Cell a
11.4541
Å
Cell b
11.4541
Å
Cell c
6.5188
Å
α Angle
90.11
°
β Angle
90.11
°
γ Angle
89.87
°
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 |
|---|---|---|---|
| 15.47 | 5.7270 | 14.0 | (0,2,0) |
| 15.47 | 5.7270 | 14.0 | (2,0,0) |
| 21.92 | 4.0542 | 10.4 | (2,2,0) |
| 21.97 | 4.0451 | 10.5 | (2,-2,0) |
| 22.03 | 4.0352 | 13.3 | (1,2,-1) |
| 22.03 | 4.0352 | 13.3 | (2,1,-1) |
| 22.07 | 4.0272 | 13.0 | (1,-2,1) |
| 22.07 | 4.0272 | 13.0 | (2,-1,-1) |
| 22.09 | 4.0247 | 25.7 | (2,1,1) |
| 22.09 | 4.0237 | 24.6 | (2,-1,1) |
| 24.56 | 3.6246 | 3.0 | (3,1,0) |
| 24.59 | 3.6196 | 3.2 | (3,-1,0) |
| 27.36 | 3.2594 | 3.9 | (0,0,2) |
| 28.14 | 3.1712 | 36.1 | (3,1,-1) |
| 28.18 | 3.1662 | 33.6 | (3,-1,-1) |
| 28.20 | 3.1644 | 29.0 | (3,1,1) |
| 28.22 | 3.1628 | 33.0 | (3,-1,1) |
| 28.46 | 3.1366 | 4.4 | (1,0,-2) |
| 28.49 | 3.1333 | 5.7 | (1,0,2) |
| 31.26 | 2.8613 | 32.6 | (3,2,-1) |
| 31.33 | 2.8550 | 38.9 | (3,2,1) |
| 31.34 | 2.8539 | 35.1 | (3,-2,-1) |
| 31.36 | 2.8527 | 35.3 | (3,-2,1) |
| 31.56 | 2.8352 | 9.7 | (0,2,-2) |
Energy Properties
Formation Energy/atom
-0.92441
eV/atom
Energy/atom
-39.29309
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.2931
eV/atom
Volume/atom
26.73
ų
c/a Ratio
0.5691
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0036
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2290
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2180
J/mol·K
Ω Parameter
0.4453
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.684%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5389
smaller = more stable mixing
VEC
6.281
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-39.570
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8865
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292389
Reference Citation
The crystal structure and related material properties of La16Dy4Ir7Pt5 were obtained from the Materials Project database (MP-ID: mp-3292389, 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_La16Dy4Ir7Pt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.45410662
_cell_length_b 11.45410754
_cell_length_c 6.51875448
_cell_angle_alpha 90.11415703
_cell_angle_beta 90.11415279
_cell_angle_gamma 89.87022468
_symmetry_Int_Tables_number 1
_chemical_formula_structural La16Dy4Ir7Pt5
_chemical_formula_sum 'La16 Dy4 Ir7 Pt5'
_cell_volume 855.23264079
_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
La La0 1 0.29261787 0.08897442 0.38422943 1.0
La La1 1 0.29418493 0.90882735 0.88339935 1.0
La La2 1 0.70591601 0.08622296 0.88319778 1.0
La La3 1 0.70521300 0.90927584 0.38352971 1.0
La La4 1 0.58655100 0.78495609 0.89391506 1.0
La La5 1 0.58378425 0.21005980 0.38572234 1.0
La La6 1 0.41230722 0.78735048 0.39316504 1.0
La La7 1 0.40890783 0.21069739 0.89314861 1.0
La La8 1 0.21504391 0.41344900 0.60608494 1.0
La La9 1 0.21264952 0.58769278 0.10683496 1.0
La La10 1 0.78994020 0.41621575 0.11427766 1.0
La La11 1 0.78930261 0.59109217 0.60685139 1.0
La La12 1 0.91102558 0.70738213 0.11577057 1.0
La La13 1 0.91377704 0.29408399 0.61680222 1.0
La La14 1 0.09117265 0.70581507 0.61660065 1.0
La La15 1 0.09072416 0.29478700 0.11647029 1.0
Dy Dy16 1 0.99925180 0.99944254 0.49968670 1.0
Dy Dy17 1 0.00055746 0.00074820 0.00031330 1.0
Dy Dy18 1 0.49807045 0.50018007 0.00114712 1.0
Dy Dy19 1 0.49981993 0.50192955 0.49885288 1.0
Ir Ir20 1 0.64938522 0.64689509 0.25004620 1.0
Ir Ir21 1 0.35310491 0.35061478 0.24995380 1.0
Ir Ir22 1 0.35146314 0.64853686 0.75000000 1.0
Ir Ir23 1 0.50023860 0.99975443 0.12299692 1.0
Ir Ir24 1 0.49974554 0.00084117 0.62428147 1.0
Ir Ir25 1 0.99915883 0.50025446 0.87571853 1.0
Ir Ir26 1 0.00024557 0.49976140 0.37700308 1.0
Pt Pt27 1 0.85318894 0.14681106 0.25000000 1.0
Pt Pt28 1 0.85342237 0.85472469 0.75024780 1.0
Pt Pt29 1 0.14527531 0.14657763 0.74975220 1.0
Pt Pt30 1 0.14635196 0.85364804 0.25000000 1.0
Pt Pt31 1 0.64760122 0.35239878 0.75000000 1.0
