Basic Information
Formula
EuH3Pd
MP-ID
mp-644246
Elements
3
Sites
5
Density
7.9662
g/cm³
Volume
54.49
ų
Cell a
3.7888
Å
Cell b
3.7922
Å
Cell c
3.7925
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 23)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.46 | 3.7925 | 3.0 | (0,0,1) |
| 23.46 | 3.7922 | 3.0 | (0,1,0) |
| 23.48 | 3.7888 | 3.0 | (1,0,0) |
| 33.42 | 2.6816 | 100.0 | (0,1,1) |
| 33.43 | 2.6804 | 99.9 | (1,0,1) |
| 33.43 | 2.6803 | 99.9 | (1,1,0) |
| 41.24 | 2.1888 | 3.9 | (1,1,1) |
| 47.98 | 1.8963 | 18.6 | (0,0,2) |
| 47.98 | 1.8961 | 18.6 | (0,2,0) |
| 48.03 | 1.8944 | 18.5 | (2,0,0) |
| 59.74 | 1.5480 | 37.2 | (1,1,2) |
| 59.74 | 1.5479 | 37.2 | (1,2,1) |
| 59.77 | 1.5473 | 37.2 | (2,1,1) |
| 70.20 | 1.3408 | 11.7 | (0,2,2) |
| 70.23 | 1.3402 | 11.7 | (2,0,2) |
| 70.23 | 1.3401 | 11.7 | (2,2,0) |
| 80.00 | 1.1993 | 8.1 | (0,1,3) |
| 80.01 | 1.1992 | 8.1 | (0,3,1) |
| 80.01 | 1.1992 | 8.1 | (1,0,3) |
| 80.02 | 1.1991 | 8.1 | (1,3,0) |
| 80.09 | 1.1983 | 8.0 | (3,0,1) |
| 80.09 | 1.1982 | 8.0 | (3,1,0) |
| 89.56 | 1.0944 | 12.8 | (2,2,2) |
Energy Properties
Formation Energy/atom
-0.59081
eV/atom
Energy/atom
-14.96015
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.9602
eV/atom
Volume/atom
10.90
ų
c/a Ratio
1.0010
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.9418
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.127400
μB/ų
Elastic Properties
KVRH
86.912
GPa
GVRH
38.110
GPa
Young's Modulus E
99.750
GPa
Poisson Ratio ν
0.309
Pugh Ratio K/G
2.281
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.000
Lame λ
61.505
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
H · 0.600
Element Family
Alkali-AlkEarth
Solute Fraction
0.400
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9503
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9005
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
86.062%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4000
smaller = more stable mixing
VEC
4.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8650
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-644246
Reference Citation
The crystal structure and related material properties of EuH3Pd were obtained from the Materials Project database (MP-ID: mp-644246, 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_EuH3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78882214
_cell_length_b 3.79214528
_cell_length_c 3.79250035
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuH3Pd
_chemical_formula_sum 'Eu1 H3 Pd1'
_cell_volume 54.48974998
_cell_formula_units_Z 1
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 0.50000000 0.50000000 0.50000000 1.0
H H1 1 0.00000000 -0.00000000 0.50000000 1.0
H H2 1 0.00000000 0.50000000 0.00000000 1.0
H H3 1 0.50000000 -0.00000000 0.00000000 1.0
Pd Pd4 1 0.00000000 -0.00000000 0.00000000 1.0
