EuH2
传统材料 TRAMP-ID: mp-1181447 · Space group: P6_3/mmc (#194)
Basic Information
Formula
EuH2
MP-ID
mp-1181447
Elements
2
Sites
6
Density
6.7293
g/cm³
Volume
75.99
ų
Cell a
4.0006
Å
Cell b
4.0006
Å
Cell c
5.4827
Å
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
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.71 | 3.4646 | 38.3 | (1,0,-1,0) |
| 30.52 | 2.9289 | 100.0 | (1,0,-1,1) |
| 30.52 | 2.9289 | 50.0 | (1,-1,0,1) |
| 32.67 | 2.7413 | 28.5 | (0,0,0,2) |
| 42.03 | 2.1498 | 15.0 | (1,0,-1,2) |
| 42.03 | 2.1498 | 7.5 | (1,-1,0,2) |
| 45.34 | 2.0003 | 35.4 | (2,-1,-1,0) |
| 52.85 | 1.7323 | 5.4 | (2,0,-2,0) |
| 55.64 | 1.6518 | 18.5 | (2,0,-2,1) |
| 55.64 | 1.6518 | 9.2 | (2,-2,0,1) |
| 56.97 | 1.6165 | 25.8 | (1,0,-1,3) |
| 56.99 | 1.6159 | 34.8 | (2,-1,-1,2) |
| 63.53 | 1.4644 | 4.3 | (2,0,-2,2) |
| 63.53 | 1.4644 | 2.1 | (2,-2,0,2) |
| 68.45 | 1.3707 | 3.4 | (0,0,0,4) |
| 72.13 | 1.3095 | 1.4 | (2,1,-3,0) |
| 72.13 | 1.3095 | 2.9 | (3,-1,-2,0) |
| 74.44 | 1.2746 | 4.0 | (1,0,-1,4) |
| 74.50 | 1.2737 | 15.8 | (3,-1,-2,1) |
| 74.50 | 1.2737 | 7.9 | (3,-2,-1,1) |
| 75.64 | 1.2573 | 7.6 | (2,0,-2,3) |
| 75.64 | 1.2573 | 3.8 | (2,-2,0,3) |
| 81.45 | 1.1816 | 6.5 | (3,-1,-2,2) |
| 83.75 | 1.1549 | 4.0 | (3,0,-3,0) |
Energy Properties
Formation Energy/atom
-0.65138
eV/atom
Energy/atom
-15.79508
eV/atom
Energy above Hull
0.0353
eV/atom
Uncorrected Energy
-15.7951
eV/atom
Volume/atom
12.67
ų
c/a Ratio
1.3705
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
13.9999
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.184230
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
H · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.599
Family
Binary Alloy
Matrix Element
H · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1181447
Reference Citation
The crystal structure and related material properties of EuH2 were obtained from the Materials Project database (MP-ID: mp-1181447, 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_EuH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00060594
_cell_length_b 4.00060594
_cell_length_c 5.48267556
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999571
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuH2
_chemical_formula_sum 'Eu2 H4'
_cell_volume 75.99320278
_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 0.66666700 0.33333300 0.75000000 1.0
Eu Eu1 1 0.33333300 0.66666700 0.25000000 1.0
H H2 1 0.33333300 0.66666700 0.75000000 1.0
H H3 1 0.66666700 0.33333300 0.25000000 1.0
H H4 1 0.00000000 0.00000000 0.50000000 1.0
H H5 1 0.00000000 0.00000000 -0.00000000 1.0
