CaEuBi4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3247256 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CaEuBi4

MP-ID

mp-3247256

Elements

Sites

Density

8.9585

g/cm³

Volume

190.54

Å³

Cell a

9.0867

Cell b

9.0867

Cell c

4.5591

α Angle

90.00

β Angle

90.00

γ Angle

149.59

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
10.09	8.7686	4.5	(1,-1,0)
19.30	4.5995	10.1	(1,0,0)
20.25	4.3843	4.8	(2,-2,0)
24.09	3.6941	3.9	(2,-1,0)
27.55	3.2380	3.9	(1,0,1)
28.24	3.1601	9.6	(2,-2,1)
30.59	2.9229	19.8	(3,-3,0)
31.16	2.8702	100.0	(2,-1,1)
36.52	2.4606	3.5	(3,-3,1)
37.75	2.3832	16.5	(1,1,0)
39.53	2.2795	14.5	(0,0,2)
40.69	2.2176	5.4	(4,-3,0)
43.21	2.0939	1.5	(3,-1,0)
44.35	2.0425	2.6	(1,0,2)
44.81	2.0225	1.3	(2,-2,2)
45.48	1.9942	5.3	(4,-3,1)
45.94	1.9756	1.9	(4,-4,1)
46.83	1.9399	1.4	(2,-1,2)
47.80	1.9028	4.8	(3,-1,1)
49.34	1.8470	10.8	(4,-2,0)
50.61	1.8037	2.1	(5,-4,0)
50.79	1.7975	9.9	(3,-3,2)
52.16	1.7537	1.5	(5,-5,0)
53.53	1.7119	2.4	(4,-2,1)

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Energy Properties

Formation Energy/atom

-0.65860

eV/atom

Energy/atom

-47.25331

eV/atom

Energy above Hull

0.0010

eV/atom

Uncorrected Energy

-47.2533

eV/atom

Volume/atom

31.76

Å³

c/a Ratio

0.5017

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.9160

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.036300

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Bi · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.2669

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.817%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4375

smaller = more stable mixing

VEC

4.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-19.787

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.585

Family

Bi-rich Multi-Component

Matrix Element

Bi · 0.667

Related Tasks

Related computation task IDs (1)

aaahctqm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247256

Reference Citation

The crystal structure and related material properties of CaEuBi4 were obtained from the Materials Project database (MP-ID: mp-3247256, 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_CaEuBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08664762
_cell_length_b   9.08664759
_cell_length_c   4.55905178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.58982336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEuBi4
_chemical_formula_sum   'Ca1 Eu1 Bi4'
_cell_volume   190.54293168
_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
  Ca  Ca0  1  0.89791391  0.10208609  0.25000000  1.0
  Eu  Eu1  1  0.10029231  0.89970769  0.75000000  1.0
  Bi  Bi2  1  0.56275642  0.43724358  0.25000000  1.0
  Bi  Bi3  1  0.43782152  0.56217848  0.75000000  1.0
  Bi  Bi4  1  0.25735782  0.74264218  0.25000000  1.0
  Bi  Bi5  1  0.74385801  0.25614199  0.75000000  1.0

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