La16Dy4Ir7Rh5
High-Entropy Materials HEAMP-ID: mp-3296219 · Space group: C2 (#5)
Basic Information
Formula
La16Dy4Ir7Rh5
MP-ID
mp-3296219
Elements
4
Sites
32
Density
9.3016
g/cm³
Volume
844.86
ų
Cell a
11.3500
Å
Cell b
11.3500
Å
Cell c
6.5584
Å
α Angle
90.10
°
β Angle
90.10
°
γ Angle
90.12
°
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 |
|---|---|---|---|
| 7.79 | 11.3499 | 3.8 | (1,0,0) |
| 11.01 | 8.0343 | 16.5 | (1,-1,0) |
| 11.04 | 8.0169 | 7.0 | (1,1,0) |
| 15.62 | 5.6750 | 4.0 | (2,0,0) |
| 22.13 | 4.0177 | 28.1 | (2,-1,-1) |
| 22.13 | 4.0172 | 5.1 | (2,-2,0) |
| 22.13 | 4.0163 | 30.4 | (2,1,-1) |
| 22.14 | 4.0148 | 27.6 | (2,-1,1) |
| 22.18 | 4.0085 | 2.0 | (2,2,0) |
| 22.18 | 4.0075 | 29.7 | (2,1,1) |
| 28.32 | 3.1518 | 18.8 | (1,0,-2) |
| 28.32 | 3.1515 | 46.7 | (3,-1,-1) |
| 28.33 | 3.1498 | 44.4 | (3,1,-1) |
| 28.34 | 3.1489 | 12.5 | (1,0,2) |
| 28.34 | 3.1487 | 54.1 | (3,-1,1) |
| 28.39 | 3.1441 | 55.0 | (3,1,1) |
| 31.49 | 2.8414 | 18.8 | (2,0,-2) |
| 31.49 | 2.8408 | 34.9 | (3,-2,-1) |
| 31.50 | 2.8397 | 35.1 | (3,-2,1) |
| 31.52 | 2.8382 | 31.6 | (3,2,-1) |
| 31.53 | 2.8372 | 18.2 | (2,0,2) |
| 31.58 | 2.8330 | 33.8 | (3,2,1) |
| 32.48 | 2.7565 | 30.8 | (2,1,-2) |
| 32.49 | 2.7561 | 29.3 | (2,-1,-2) |
Energy Properties
Formation Energy/atom
-0.77432
eV/atom
Energy/atom
-34.86933
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.8693
eV/atom
Volume/atom
26.40
ų
c/a Ratio
0.5778
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0712
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000080
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
0.6367
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.327%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5389
smaller = more stable mixing
VEC
6.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-28.166
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-3296219
Reference Citation
The crystal structure and related material properties of La16Dy4Ir7Rh5 were obtained from the Materials Project database (MP-ID: mp-3296219, 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_La16Dy4Ir7Rh5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.34996011
_cell_length_b 11.34995936
_cell_length_c 6.55840042
_cell_angle_alpha 90.09681575
_cell_angle_beta 90.09681286
_cell_angle_gamma 90.12415026
_symmetry_Int_Tables_number 1
_chemical_formula_structural La16Dy4Ir7Rh5
_chemical_formula_sum 'La16 Dy4 Ir7 Rh5'
_cell_volume 844.85914279
_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 0.28603189 0.08899256 0.40183022 1.0
La La1 1 0.28739906 0.91096616 0.90179280 1.0
La La2 1 0.71294506 0.08868440 0.90337872 1.0
La La3 1 0.71228509 0.90937186 0.40346899 1.0
La La4 1 0.58916509 0.78621867 0.90242966 1.0
La La5 1 0.58717138 0.21368542 0.40334893 1.0
La La6 1 0.41059074 0.78729997 0.40257107 1.0
La La7 1 0.41132902 0.21263428 0.90246573 1.0
La La8 1 0.21378133 0.41083491 0.59757034 1.0
La La9 1 0.21270003 0.58940926 0.09742893 1.0
La La10 1 0.78631458 0.41282862 0.09665107 1.0
La La11 1 0.78736572 0.58867098 0.59753427 1.0
La La12 1 0.91100744 0.71396811 0.09816978 1.0
La La13 1 0.91131560 0.28705494 0.59662128 1.0
La La14 1 0.08903384 0.71260094 0.59820720 1.0
La La15 1 0.09062814 0.28771491 0.09653101 1.0
Dy Dy16 1 0.99994135 0.99900495 0.50027953 1.0
Dy Dy17 1 0.00099505 0.00005865 0.99972047 1.0
Dy Dy18 1 0.49936142 0.49983308 0.00015113 1.0
Dy Dy19 1 0.50016692 0.50063858 0.49984887 1.0
Ir Ir20 1 0.85137725 0.85184313 0.75056055 1.0
Ir Ir21 1 0.14815687 0.14862275 0.74943945 1.0
Ir Ir22 1 0.14885942 0.85114058 0.25000000 1.0
Ir Ir23 1 0.64905033 0.35094967 0.75000000 1.0
Ir Ir24 1 0.64884242 0.64896537 0.25036814 1.0
Ir Ir25 1 0.35103463 0.35115758 0.24963186 1.0
Ir Ir26 1 0.35098893 0.64901107 0.75000000 1.0
Rh Rh27 1 0.85092791 0.14907209 0.25000000 1.0
Rh Rh28 1 0.50151286 0.00044045 0.13078317 1.0
Rh Rh29 1 0.50047301 0.00031192 0.63080102 1.0
Rh Rh30 1 0.99968808 0.49952699 0.86919898 1.0
Rh Rh31 1 0.99955955 0.49848714 0.36921683 1.0
