EuCuBi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-635456 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuCuBi

MP-ID

mp-635456

Elements

Sites

Density

8.6994

g/cm³

Volume

162.05

Å³

Cell a

4.6681

Cell b

4.6681

Cell c

8.5873

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

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
20.69	4.2936	7.6	(0,0,0,2)
24.34	3.6576	9.4	(1,-1,0,1)
24.34	3.6576	18.7	(1,0,-1,1)
30.37	2.9433	100.0	(1,0,-1,2)
38.54	2.3361	9.0	(1,0,-1,3)
38.57	2.3340	57.6	(2,-1,-1,0)
42.09	2.1468	15.0	(0,0,0,4)
44.17	2.0506	6.6	(2,-1,-1,2)
46.14	1.9676	5.6	(2,0,-2,1)
49.86	1.8288	8.4	(2,-2,0,2)
49.86	1.8288	16.9	(2,0,-2,2)
55.67	1.6511	1.1	(2,-2,0,3)
55.67	1.6511	2.2	(2,0,-2,3)
58.38	1.5807	2.9	(1,0,-1,5)
58.41	1.5801	34.3	(2,-1,-1,4)
61.66	1.5044	3.3	(3,-1,-2,1)
61.66	1.5044	1.7	(2,1,-3,1)
64.76	1.4395	15.4	(3,-1,-2,2)
64.76	1.4395	7.7	(2,1,-3,2)
69.70	1.3492	9.3	(1,0,-1,6)
69.77	1.3480	2.4	(3,-1,-2,3)
69.77	1.3480	1.2	(2,1,-3,3)
69.79	1.3476	10.1	(3,0,-3,0)
72.18	1.3088	1.1	(2,0,-2,5)

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Energy Properties

Formation Energy/atom

-0.50300

eV/atom

Energy/atom

-6.59545

eV/atom

Energy above Hull

0.0397

eV/atom

Uncorrected Energy

-6.5955

eV/atom

Volume/atom

27.01

Å³

c/a Ratio

1.8396

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0103

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.086460

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

5.1405

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.796%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3616

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.778

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.403

Family

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Related Tasks

Related computation task IDs (5)

aaaddsqi aaadmmfy aaadsrpu aaaeumtk aaafbwkl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-635456

Reference Citation

The crystal structure and related material properties of EuCuBi were obtained from the Materials Project database (MP-ID: mp-635456, 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_EuCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66805233
_cell_length_b   4.66805233
_cell_length_c   8.58725600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuCuBi
_chemical_formula_sum   'Eu2 Cu2 Bi2'
_cell_volume   162.05276791
_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  0.00000000  1.0
  Eu  Eu1  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.66666700  0.33333300  0.25000000  1.0
  Cu  Cu3  1  0.33333300  0.66666700  0.75000000  1.0
  Bi  Bi4  1  0.33333300  0.66666700  0.25000000  1.0
  Bi  Bi5  1  0.66666700  0.33333300  0.75000000  1.0

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