Basic Information
Formula
GdCu4Pd
MP-ID
mp-1025013
Elements
3
Sites
6
Density
9.8745
g/cm³
Volume
87.09
ų
Cell a
4.9751
Å
Cell b
4.9751
Å
Cell c
4.9751
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
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 |
|---|---|---|---|
| 21.88 | 4.0624 | 8.2 | (0,0,1) |
| 21.88 | 4.0624 | 8.2 | (0,1,0) |
| 21.88 | 4.0624 | 8.2 | (1,0,0) |
| 21.88 | 4.0621 | 8.2 | (1,1,1) |
| 25.32 | 3.5181 | 4.7 | (1,0,1) |
| 25.32 | 3.5181 | 4.7 | (1,1,0) |
| 25.32 | 3.5181 | 4.7 | (0,1,1) |
| 36.10 | 2.4877 | 52.1 | (0,1,-1) |
| 36.11 | 2.4877 | 52.1 | (1,-1,0) |
| 36.11 | 2.4877 | 52.1 | (1,0,-1) |
| 36.11 | 2.4876 | 52.1 | (1,1,2) |
| 36.11 | 2.4876 | 52.1 | (1,2,1) |
| 36.11 | 2.4876 | 52.1 | (2,1,1) |
| 42.62 | 2.1215 | 50.0 | (1,-1,1) |
| 42.62 | 2.1215 | 50.0 | (1,1,-1) |
| 42.62 | 2.1215 | 50.0 | (1,-1,-1) |
| 42.62 | 2.1215 | 50.0 | (1,0,2) |
| 42.62 | 2.1215 | 50.0 | (1,2,0) |
| 42.62 | 2.1215 | 50.0 | (0,1,2) |
| 42.62 | 2.1215 | 50.0 | (0,2,1) |
| 42.62 | 2.1215 | 50.0 | (2,0,1) |
| 42.62 | 2.1215 | 50.0 | (2,1,0) |
| 42.62 | 2.1214 | 50.0 | (2,1,2) |
| 42.62 | 2.1214 | 100.0 | (2,2,1) |
Energy Properties
Formation Energy/atom
-0.32146
eV/atom
Energy/atom
-18.61223
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.6122
eV/atom
Volume/atom
14.51
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.5083
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.086220
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.667
Element Family
3d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.4593
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.748%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3037
smaller = more stable mixing
VEC
9.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-23.150
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025013
Reference Citation
The crystal structure and related material properties of GdCu4Pd were obtained from the Materials Project database (MP-ID: mp-1025013, 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_GdCu4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97513245
_cell_length_b 4.97513959
_cell_length_c 4.97514262
_cell_angle_alpha 60.00450219
_cell_angle_beta 60.00431817
_cell_angle_gamma 60.00435560
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdCu4Pd
_chemical_formula_sum 'Gd1 Cu4 Pd1'
_cell_volume 87.08506849
_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
Gd Gd0 1 0.24999817 0.24999956 0.24999984 1.0
Cu Cu1 1 0.62629250 0.62629225 0.62629289 1.0
Cu Cu2 1 0.62629996 0.62630011 0.12110717 1.0
Cu Cu3 1 0.62629827 0.12110767 0.62630172 1.0
Cu Cu4 1 0.12110857 0.62629997 0.62629871 1.0
Pd Pd5 1 0.00000153 0.00000044 0.99999966 1.0
