EuAsPd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1025079 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuAsPd

MP-ID

mp-1025079

Elements

Sites

Density

8.2400

g/cm³

Volume

134.34

Å³

Cell a

4.2896

Cell b

4.2896

Cell c

8.4299

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
21.08	4.2150	1.6	(0,0,0,2)
23.95	3.7149	8.8	(1,0,-1,0)
26.21	3.3995	3.1	(1,0,-1,1)
32.12	2.7870	100.0	(1,0,-1,2)
32.12	2.7870	50.0	(1,-1,0,2)
42.13	2.1448	67.2	(2,-1,-1,0)
42.91	2.1075	21.3	(0,0,0,4)
49.74	1.8331	2.6	(1,0,-1,4)
53.94	1.6997	22.7	(2,0,-2,2)
53.94	1.6997	11.4	(2,-2,0,2)
61.71	1.5032	14.3	(1,1,-2,4)
61.71	1.5032	28.6	(2,-1,-1,4)
70.72	1.3321	10.1	(2,1,-3,2)
70.72	1.3321	20.2	(3,-1,-2,2)
71.84	1.3141	14.5	(1,0,-1,6)
77.01	1.2383	7.5	(3,0,-3,0)
77.01	1.2383	3.8	(3,-3,0,0)
86.94	1.1205	6.0	(2,0,-2,6)
86.94	1.1205	3.0	(2,-2,0,6)

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Energy Properties

Formation Energy/atom

-1.01908

eV/atom

Energy/atom

-7.73179

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.5493

eV/atom

Volume/atom

22.39

Å³

c/a Ratio

1.9652

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

13.5417

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.100800

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.064%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4668

smaller = more stable mixing

VEC

6.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.390

Family

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Related Tasks

Related computation task IDs (5)

aaadomjf aaadwcay aaaelzna aaaeprat aaafbjux

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025079

Reference Citation

The crystal structure and related material properties of EuAsPd were obtained from the Materials Project database (MP-ID: mp-1025079, 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_EuAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28963188
_cell_length_b   4.28963188
_cell_length_c   8.42992557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuAsPd
_chemical_formula_sum   'Eu2 As2 Pd2'
_cell_volume   134.33663215
_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
  Eu  Eu0  1  0.00000000  0.00000000  0.50000000  1.0
  Eu  Eu1  1  0.00000000  0.00000000  -0.00000000  1.0
  As  As2  1  0.66666700  0.33333300  0.75013746  1.0
  As  As3  1  0.33333300  0.66666700  0.24986254  1.0
  Pd  Pd4  1  0.66666700  0.33333300  0.25013863  1.0
  Pd  Pd5  1  0.33333300  0.66666700  0.74986137  1.0

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