Eu3H

Traditional Materials TRA

MP-ID: mp-1184386 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Eu3H

MP-ID

mp-1184386

Elements

Sites

Density

5.5799

g/cm³

Volume

271.94

Å³

Cell a

7.1955

Cell b

7.1955

Cell c

6.0650

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
14.21	6.2315	10.7	(1,0,-1,0)
20.43	4.3462	23.2	(1,0,-1,1)
20.43	4.3462	11.6	(1,-1,0,1)
24.75	3.5977	14.0	(2,-1,-1,0)
28.65	3.1157	22.7	(2,0,-2,0)
29.45	3.0325	28.2	(0,0,0,2)
32.30	2.7714	100.0	(2,0,-2,1)
32.85	2.7267	2.0	(1,0,-1,2)
38.21	2.3553	1.0	(2,1,-3,0)
38.21	2.3553	2.0	(3,-1,-2,0)
38.84	2.3187	8.8	(2,-1,-1,2)
41.11	2.1955	10.2	(3,-1,-2,1)
41.56	2.1731	16.7	(2,0,-2,2)
43.57	2.0772	3.2	(3,0,-3,0)
47.27	1.9230	3.9	(1,0,-1,3)
48.97	1.8601	2.0	(3,-1,-2,2)
50.75	1.7989	18.5	(4,-2,-2,0)
53.47	1.7137	3.5	(3,0,-3,2)
54.07	1.6959	23.0	(2,0,-2,3)
55.27	1.6621	4.9	(4,-1,-3,1)
59.32	1.5579	1.9	(4,0,-4,0)
59.77	1.5471	22.7	(4,-2,-2,2)
60.34	1.5340	1.1	(2,1,-3,3)
60.34	1.5340	2.2	(3,-1,-2,3)

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Energy Properties

Formation Energy/atom

0.41965

eV/atom

Energy/atom

-29.33479

eV/atom

Energy above Hull

0.6772

eV/atom

Uncorrected Energy

-8.0762

eV/atom

Volume/atom

33.99

Å³

c/a Ratio

0.8429

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

44.6502

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.164190

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

0.441

Family

Binary Alloy

Matrix Element

Eu · 0.750

Related Tasks

Related computation task IDs (2)

aaaduahu aaaefnkt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184386

Reference Citation

The crystal structure and related material properties of Eu3H were obtained from the Materials Project database (MP-ID: mp-1184386, 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_Eu3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19547153
_cell_length_b   7.19547153
_cell_length_c   6.06494600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu3H
_chemical_formula_sum   'Eu6 H2'
_cell_volume   271.94188730
_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  0.16834500  0.33669000  0.25000000  1.0
  Eu  Eu1  1  0.66331000  0.83165500  0.25000000  1.0
  Eu  Eu2  1  0.16834500  0.83165500  0.25000000  1.0
  Eu  Eu3  1  0.83165500  0.66331000  0.75000000  1.0
  Eu  Eu4  1  0.33669000  0.16834500  0.75000000  1.0
  Eu  Eu5  1  0.83165500  0.16834500  0.75000000  1.0
  H  H6  1  0.33333300  0.66666700  0.75000000  1.0
  H  H7  1  0.66666700  0.33333300  0.25000000  1.0

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