La14PdRh5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292516 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

La14PdRh5

MP-ID

mp-3292516

Elements

Sites

Density

7.1813

g/cm³

Volume

593.25

Å³

Cell a

10.1324

Cell b

10.1660

Cell c

6.6433

α Angle

89.65

β Angle

90.00

γ Angle

119.89

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
16.65	5.3232	6.7	(0,1,1)
16.70	5.3076	11.9	(1,0,1)
16.76	5.2896	11.9	(1,0,-1)
16.77	5.2869	7.3	(0,1,-1)
17.45	5.0828	7.3	(1,1,0)
17.51	5.0662	5.1	(2,-1,0)
24.25	3.6698	1.9	(2,0,1)
24.33	3.6579	1.3	(2,0,-1)
26.78	3.3296	10.5	(1,2,0)
26.81	3.3249	16.1	(2,1,0)
26.84	3.3215	16.7	(0,0,2)
26.88	3.3171	12.9	(3,-1,0)
28.65	3.1155	32.5	(0,1,2)
28.70	3.1105	59.9	(1,0,2)
28.77	3.1032	53.8	(1,0,-2)
28.79	3.1009	26.7	(0,1,-2)
29.94	2.9847	49.8	(1,2,1)
29.99	2.9797	54.2	(2,1,1)
30.10	2.9693	51.4	(3,-1,1)
30.10	2.9687	53.9	(1,2,-1)
30.12	2.9669	54.3	(2,1,-1)
30.13	2.9661	46.5	(3,-1,-1)
30.43	2.9378	20.4	(0,3,0)
30.53	2.9282	42.2	(3,0,0)

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Energy Properties

Formation Energy/atom

-0.57799

eV/atom

Energy/atom

-28.58141

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.5814

eV/atom

Volume/atom

29.66

Å³

c/a Ratio

0.6557

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.3113

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000520

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.700

Element Family

Lanthanide

Solute Fraction

0.300

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7460

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.2025

J/mol·K

Ω Parameter

0.2727

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5349

smaller = more stable mixing

VEC

4.850

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-33.798

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6791

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.678

Family

La-rich Multi-Component

Matrix Element

La · 0.700

Related Tasks

Related computation task IDs (1)

aaahfipg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292516

Reference Citation

The crystal structure and related material properties of La14PdRh5 were obtained from the Materials Project database (MP-ID: mp-3292516, 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_La14PdRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13238116
_cell_length_b   10.16594963
_cell_length_c   6.64325148
_cell_angle_alpha   89.64655127
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.89082906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La14PdRh5
_chemical_formula_sum   'La14 Pd1 Rh5'
_cell_volume   593.24831213
_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  0.33587870  0.67175839  0.46890808  1.0
  La  La1  1  0.66561311  0.33122421  0.97489981  1.0
  La  La2  1  0.12445030  0.87685546  0.23835079  1.0
  La  La3  1  0.75240516  0.87685546  0.23835079  1.0
  La  La4  1  0.12377183  0.24754366  0.23163570  1.0
  La  La5  1  0.86619475  0.11883398  0.73771065  1.0
  La  La6  1  0.25263922  0.11883398  0.73771065  1.0
  La  La7  1  0.87664581  0.75329062  0.73849362  1.0
  La  La8  1  0.54111930  0.46493239  0.43601819  1.0
  La  La9  1  0.92381308  0.46493239  0.43601819  1.0
  La  La10  1  0.53756214  0.07512328  0.42803278  1.0
  La  La11  1  0.47073082  0.54130201  0.93640092  1.0
  La  La12  1  0.07057119  0.54130201  0.93640092  1.0
  La  La13  1  0.45950894  0.91901688  0.93695976  1.0
  Pd  Pd14  1  0.18749184  0.37498368  0.69415611  1.0
  Rh  Rh15  1  0.81466032  0.18843808  0.20200639  1.0
  Rh  Rh16  1  0.37377775  0.18843808  0.20200639  1.0
  Rh  Rh17  1  0.81255255  0.62510510  0.20327303  1.0
  Rh  Rh18  1  0.18557261  0.81061419  0.70422810  1.0
  Rh  Rh19  1  0.62504158  0.81061419  0.70422810  1.0

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