EuBr3

Traditional Materials TRA

MP-ID: mp-1184529 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuBr3

MP-ID

mp-1184529

Elements

Sites

Density

5.9408

g/cm³

Volume

218.96

Å³

Cell a

6.6677

Cell b

6.6677

Cell c

5.6870

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
15.34	5.7744	6.2	(1,0,-1,0)
21.94	4.0518	7.5	(1,0,-1,1)
26.74	3.3338	1.4	(1,1,-2,0)
26.74	3.3338	2.8	(2,-1,-1,0)
30.97	2.8872	22.9	(2,0,-2,0)
31.46	2.8435	29.5	(0,0,0,2)
34.85	2.5744	100.0	(2,0,-2,1)
35.18	2.5510	1.8	(1,0,-1,2)
41.75	2.1634	2.7	(2,-1,-1,2)
44.46	2.0376	4.8	(3,-1,-2,1)
44.73	2.0259	10.9	(2,0,-2,2)
44.73	2.0259	5.5	(2,-2,0,2)
55.09	1.6669	5.7	(2,2,-4,0)
55.09	1.6669	11.5	(4,-2,-2,0)
58.22	1.5846	22.2	(2,0,-2,3)
64.56	1.4436	1.8	(4,0,-4,0)
64.84	1.4380	7.0	(2,2,-4,2)
64.84	1.4380	14.0	(4,-2,-2,2)
65.19	1.4312	1.6	(3,-1,-2,3)
65.67	1.4217	3.5	(0,0,0,4)
66.87	1.3992	14.3	(4,0,-4,1)
73.58	1.2872	3.6	(4,0,-4,2)
74.37	1.2755	2.4	(2,0,-2,4)
74.37	1.2755	1.2	(2,-2,0,4)

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Energy Properties

Formation Energy/atom

-1.67673

eV/atom

Energy/atom

-5.47647

eV/atom

Energy above Hull

0.2808

eV/atom

Uncorrected Energy

-5.0760

eV/atom

Volume/atom

27.37

Å³

c/a Ratio

0.8529

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.9965

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.054790

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Br · 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

0.454

Family

Binary Alloy

Matrix Element

Br · 0.750

Related Tasks

Related computation task IDs (5)

aaadpdzp aaadvrpd aaaeacuj aaaeqhuw aaafbfqm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184529

Reference Citation

The crystal structure and related material properties of EuBr3 were obtained from the Materials Project database (MP-ID: mp-1184529, 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_EuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66766724
_cell_length_b   6.66766724
_cell_length_c   5.68695100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuBr3
_chemical_formula_sum   'Eu2 Br6'
_cell_volume   218.95657273
_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  0.33333300  0.66666700  0.75000000  1.0
  Eu  Eu1  1  0.66666700  0.33333300  0.25000000  1.0
  Br  Br2  1  0.17283000  0.34566000  0.25000000  1.0
  Br  Br3  1  0.65434000  0.82717000  0.25000000  1.0
  Br  Br4  1  0.17283000  0.82717000  0.25000000  1.0
  Br  Br5  1  0.82717000  0.65434000  0.75000000  1.0
  Br  Br6  1  0.34566000  0.17283000  0.75000000  1.0
  Br  Br7  1  0.82717000  0.17283000  0.75000000  1.0

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