Eu3Nb

Traditional Materials TRA

MP-ID: mp-1184441 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Eu3Nb

MP-ID

mp-1184441

Elements

Sites

Density

7.8620

g/cm³

Volume

231.83

Å³

Cell a

6.9634

Cell b

6.9634

Cell c

5.5206

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
21.83	4.0720	8.0	(1,0,-1,1)
25.59	3.4817	1.8	(2,-1,-1,0)
29.63	3.0152	23.7	(2,0,-2,0)
29.63	3.0152	11.9	(2,-2,0,0)
32.44	2.7603	38.1	(0,0,0,2)
33.87	2.6463	100.0	(2,0,-2,1)
33.87	2.6463	50.0	(2,-2,0,1)
39.54	2.2793	1.9	(3,-1,-2,0)
41.76	2.1630	1.1	(2,-1,-1,2)
44.50	2.0360	15.5	(2,0,-2,2)
44.50	2.0360	7.8	(2,-2,0,2)
48.18	1.8888	2.1	(3,0,-3,1)
52.03	1.7576	2.6	(3,-1,-2,2)
52.57	1.7409	27.4	(4,-2,-2,0)
58.78	1.5708	30.4	(2,0,-2,3)
61.51	1.5076	2.8	(4,0,-4,0)
61.51	1.5076	1.4	(4,-4,0,0)
63.14	1.4725	10.5	(2,2,-4,2)
63.14	1.4725	21.0	(4,-2,-2,2)
64.02	1.4544	14.9	(4,0,-4,1)
64.02	1.4544	7.4	(4,-4,0,1)
67.91	1.3802	4.5	(0,0,0,4)
70.12	1.3420	1.4	(5,-2,-3,1)
71.27	1.3231	5.4	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

0.59786

eV/atom

Energy/atom

-34.47632

eV/atom

Energy above Hull

0.5979

eV/atom

Uncorrected Energy

-9.6202

eV/atom

Volume/atom

28.98

Å³

c/a Ratio

0.7928

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

45.9472

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.198200

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

0.521

Family

Binary Alloy

Matrix Element

Eu · 0.750

Related Tasks

Related computation task IDs (4)

aaadoieu aaadvbyc aaadxbqf aaaeqahz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184441

Reference Citation

The crystal structure and related material properties of Eu3Nb were obtained from the Materials Project database (MP-ID: mp-1184441, 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_Eu3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96339528
_cell_length_b   6.96339528
_cell_length_c   5.52062400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu3Nb
_chemical_formula_sum   'Eu6 Nb2'
_cell_volume   231.82535218
_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  0.82516800  0.17483200  0.75000000  1.0
  Eu  Eu1  1  0.34966400  0.17483200  0.75000000  1.0
  Eu  Eu2  1  0.82516800  0.65033600  0.75000000  1.0
  Eu  Eu3  1  0.65033600  0.82516800  0.25000000  1.0
  Eu  Eu4  1  0.17483200  0.82516800  0.25000000  1.0
  Eu  Eu5  1  0.17483200  0.34966400  0.25000000  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.25000000  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.75000000  1.0

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