EuBiAu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1018695 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

EuBiAu

MP-ID

mp-1018695

Elements

Sites

Density

10.9743

g/cm³

Volume

168.84

Å³

Cell a

4.8459

Cell b

4.8462

Cell c

8.3014

α Angle

89.99

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

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 24)

2θ	d (Å)	I	hkl
21.17	4.1970	3.0	(0,1,-1,0)
21.17	4.1968	3.1	(1,0,-1,0)
21.17	4.1967	3.1	(1,-1,0,0)
21.41	4.1507	60.6	(0,0,0,2)
23.75	3.7458	5.4	(0,1,-1,1)
23.76	3.7455	5.4	(1,0,-1,1)
23.76	3.7455	5.4	(1,-1,0,-1)
23.76	3.7453	5.4	(0,1,-1,-1)
23.76	3.7452	5.4	(1,0,-1,-1)
23.76	3.7452	5.4	(1,-1,0,1)
30.28	2.9515	61.8	(0,1,-1,2)
30.28	2.9513	62.0	(1,0,-1,2)
30.28	2.9513	62.0	(1,-1,0,-2)
30.29	2.9510	61.9	(1,-1,0,2)
30.29	2.9510	61.9	(1,0,-1,-2)
30.29	2.9510	61.8	(0,1,-1,-2)
37.10	2.4231	100.0	(1,1,-2,0)
37.10	2.4231	100.0	(1,-2,1,0)
37.11	2.4229	100.0	(2,-1,-1,0)
38.98	2.3104	12.2	(0,1,-1,3)
38.99	2.3103	12.2	(1,0,-1,3)
38.99	2.3103	12.2	(1,-1,0,-3)
38.99	2.3101	12.2	(1,-1,0,3)
38.99	2.3101	12.2	(1,0,-1,-3)

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Energy Properties

Formation Energy/atom

-0.71402

eV/atom

Energy/atom

-6.53137

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-50.0287

eV/atom

Volume/atom

28.14

Å³

c/a Ratio

1.7131

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

13.9835

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.082820

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

3.9802

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.351%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5516

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.280

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Related Tasks

Related computation task IDs (5)

aaadomeb aaadutur aaaelzsi aaaespjp aaafblih

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018695

Reference Citation

The crystal structure and related material properties of EuBiAu were obtained from the Materials Project database (MP-ID: mp-1018695, 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_EuBiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84588529
_cell_length_b   4.84619310
_cell_length_c   8.30142100
_cell_angle_alpha   89.99193153
_cell_angle_beta   89.99966131
_cell_angle_gamma   119.99730103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuBiAu
_chemical_formula_sum   'Eu2 Bi2 Au2'
_cell_volume   168.83742485
_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  0.00005108  0.00009729  0.74367315  1.0
  Eu  Eu1  1  0.99998411  0.99996851  0.24370207  1.0
  Bi  Bi2  1  0.66633235  0.33265568  0.97405366  1.0
  Bi  Bi3  1  0.33369082  0.66738734  0.47397901  1.0
  Au  Au4  1  0.66691955  0.33384330  0.54124652  1.0
  Au  Au5  1  0.33302209  0.66604689  0.04134560  1.0

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