La7IrPdAu

High-Entropy Materials HEA

MP-ID: mp-3292270 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

La7IrPdAu

MP-ID

mp-3292270

Elements

Sites

Density

7.8678

g/cm³

Volume

619.63

Å³

Cell a

6.6012

Cell b

10.4218

Cell c

10.4119

α Angle

120.11

β Angle

90.24

γ Angle

89.72

Space Group

Point Group

Crystal System

Triclinic

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
9.80	9.0263	2.6	(0,1,-1,-1)
9.82	9.0068	12.8	(0,0,0,1)
13.41	6.6011	10.2	(1,0,-1,0)
16.60	5.3416	25.8	(1,1,-2,-1)
16.62	5.3339	19.4	(1,1,-2,0)
16.63	5.3296	9.3	(1,0,-1,-1)
16.67	5.3189	8.1	(1,0,-1,1)
16.67	5.3182	20.6	(1,-1,0,0)
16.68	5.3151	21.5	(1,-1,0,1)
17.02	5.2109	5.0	(0,2,-2,-1)
17.03	5.2059	15.8	(0,1,-1,-2)
17.05	5.1996	21.1	(0,1,-1,1)
19.67	4.5131	9.9	(0,2,-2,-2)
19.69	4.5077	10.0	(0,2,-2,0)
19.71	4.5034	6.1	(0,0,0,2)
21.68	4.0997	1.6	(1,2,-3,-1)
21.78	4.0806	1.1	(1,-2,1,1)
23.83	3.7347	5.1	(1,2,-3,-2)
23.87	3.7279	4.7	(1,2,-3,0)
23.90	3.7238	7.2	(1,0,-1,-2)
23.94	3.7172	3.7	(1,-2,1,0)
23.94	3.7166	3.3	(1,-2,1,2)
23.94	3.7165	5.1	(1,0,-1,2)
26.13	3.4102	5.5	(0,3,-3,-1)

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Energy Properties

Formation Energy/atom

-0.60027

eV/atom

Energy/atom

-34.01210

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.0121

eV/atom

Volume/atom

30.98

Å³

c/a Ratio

1.5773

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4960

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000800

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

0.9404

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.8189

J/mol·K

Ω Parameter

0.2361

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.442%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5629

smaller = more stable mixing

VEC

5.100

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-47.213

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6784

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfifu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292270

Reference Citation

The crystal structure and related material properties of La7IrPdAu were obtained from the Materials Project database (MP-ID: mp-3292270, 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_La7IrPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60123149
_cell_length_b   10.42184083
_cell_length_c   10.41192250
_cell_angle_alpha   120.11218819
_cell_angle_beta   90.24265960
_cell_angle_gamma   89.72499078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La7IrPdAu
_chemical_formula_sum   'La14 Ir2 Pd2 Au2'
_cell_volume   619.63067905
_cell_formula_units_Z   2
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  0.46985375  0.33851478  0.66369363  1.0
  La  La1  1  0.95445892  0.66265415  0.32872931  1.0
  La  La2  1  0.23493176  0.13429938  0.87712086  1.0
  La  La3  1  0.25776825  0.74182389  0.87420272  1.0
  La  La4  1  0.25779415  0.12842231  0.25538941  1.0
  La  La5  1  0.74700689  0.87705692  0.12157407  1.0
  La  La6  1  0.74561659  0.25114384  0.13867057  1.0
  La  La7  1  0.73813468  0.85980061  0.74663256  1.0
  La  La8  1  0.43782787  0.52975236  0.46002002  1.0
  La  La9  1  0.44257670  0.93365879  0.45917138  1.0
  La  La10  1  0.44324671  0.53969214  0.07456679  1.0
  La  La11  1  0.93412900  0.45758491  0.54276035  1.0
  La  La12  1  0.93639145  0.07064573  0.52442043  1.0
  La  La13  1  0.93491381  0.47534819  0.92949177  1.0
  Ir  Ir14  1  0.69421337  0.62335221  0.81366985  1.0
  Ir  Ir15  1  0.69301805  0.18704320  0.37694778  1.0
  Pd  Pd16  1  0.19594839  0.81134692  0.18905151  1.0
  Pd  Pd17  1  0.19708525  0.37737178  0.18827834  1.0
  Au  Au18  1  0.19342907  0.81326137  0.62205938  1.0
  Au  Au19  1  0.69365236  0.18722453  0.81355126  1.0

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