Eu3Bi

Traditional Materials TRA

MP-ID: mp-1184377 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Eu3Bi

MP-ID

mp-1184377

Elements

Sites

Density

7.8128

g/cm³

Volume

282.63

Å³

Cell a

7.3907

Cell b

7.3907

Cell c

5.9747

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 23)

2θ	d (Å)	I	hkl
13.84	6.4005	1.7	(1,0,-1,0)
27.88	3.2003	23.1	(2,0,-2,0)
29.91	2.9873	26.1	(0,0,0,2)
31.72	2.8211	100.0	(2,0,-2,1)
40.22	2.2423	1.8	(3,-1,-2,1)
41.34	2.1838	10.9	(2,0,-2,2)
41.34	2.1838	5.4	(2,-2,0,2)
49.32	1.8477	19.2	(4,-2,-2,0)
54.25	1.6909	22.1	(2,0,-2,3)
57.60	1.6001	3.0	(4,0,-4,0)
58.76	1.5714	22.8	(4,-2,-2,2)
59.84	1.5457	16.0	(4,0,-4,1)
62.15	1.4937	3.3	(0,0,0,4)
66.26	1.4105	2.6	(4,0,-4,2)
66.26	1.4105	1.3	(4,-4,0,2)
69.44	1.3535	3.6	(2,0,-2,4)
76.34	1.2474	8.0	(4,0,-4,3)
79.19	1.2096	1.6	(6,-2,-4,0)
81.12	1.1855	13.3	(6,-2,-4,1)
83.16	1.1616	8.8	(4,-2,-2,4)
86.88	1.1212	3.9	(6,-2,-4,2)
87.05	1.1194	6.1	(2,0,-2,5)
89.83	1.0919	1.9	(4,0,-4,4)

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Energy Properties

Formation Energy/atom

-0.61930

eV/atom

Energy/atom

-44.13553

eV/atom

Energy above Hull

0.0807

eV/atom

Uncorrected Energy

-9.1641

eV/atom

Volume/atom

35.33

Å³

c/a Ratio

0.8084

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

44.6233

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.157890

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.668

Family

Binary Alloy

Matrix Element

Eu · 0.750

Related Tasks

Related computation task IDs (2)

aaadbodx aaadvexg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184377

Reference Citation

The crystal structure and related material properties of Eu3Bi were obtained from the Materials Project database (MP-ID: mp-1184377, 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_Eu3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39067586
_cell_length_b   7.39067586
_cell_length_c   5.97467500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu3Bi
_chemical_formula_sum   'Eu6 Bi2'
_cell_volume   282.62673012
_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  0.17367100  0.34734200  0.25000000  1.0
  Eu  Eu1  1  0.65265800  0.82632900  0.25000000  1.0
  Eu  Eu2  1  0.17367100  0.82632900  0.25000000  1.0
  Eu  Eu3  1  0.82632900  0.65265800  0.75000000  1.0
  Eu  Eu4  1  0.34734200  0.17367100  0.75000000  1.0
  Eu  Eu5  1  0.82632900  0.17367100  0.75000000  1.0
  Bi  Bi6  1  0.33333300  0.66666700  0.75000000  1.0
  Bi  Bi7  1  0.66666700  0.33333300  0.25000000  1.0

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