Ga5Pd
Traditional Materials TRAMP-ID: mp-30660 · Space group: I4/mcm (#140)
Basic Information
Formula
Ga5Pd
MP-ID
mp-30660
Elements
2
Sites
12
Density
7.3538
g/cm³
Volume
205.50
ų
Cell a
6.4510
Å
Cell b
6.4510
Å
Cell c
6.7225
Å
α Angle
118.67
°
β Angle
118.67
°
γ Angle
90.00
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 17.96 | 4.9381 | 17.9 | (0,0,1) |
| 19.46 | 4.5615 | 19.1 | (1,-1,0) |
| 27.66 | 3.2255 | 17.7 | (2,0,-1) |
| 32.33 | 2.7692 | 41.7 | (2,-1,0) |
| 32.33 | 2.7692 | 41.7 | (2,1,-1) |
| 36.39 | 2.4691 | 3.1 | (0,0,2) |
| 39.51 | 2.2808 | 11.7 | (2,-2,0) |
| 39.51 | 2.2808 | 11.7 | (2,2,-2) |
| 41.59 | 2.1714 | 81.0 | (1,-1,2) |
| 41.62 | 2.1697 | 48.8 | (2,-1,1) |
| 41.62 | 2.1697 | 29.3 | (2,1,0) |
| 44.41 | 2.0400 | 100.0 | (3,-1,-1) |
| 46.31 | 1.9606 | 46.1 | (2,0,1) |
| 48.27 | 1.8854 | 4.9 | (3,-1,-2) |
| 51.94 | 1.7605 | 4.6 | (3,-2,-1) |
| 54.79 | 1.6754 | 8.9 | (2,-2,2) |
| 54.79 | 1.6754 | 3.0 | (2,2,-4) |
| 55.85 | 1.6460 | 1.5 | (0,0,3) |
| 56.46 | 1.6298 | 3.8 | (2,-1,2) |
| 57.11 | 1.6127 | 1.1 | (4,0,-2) |
| 58.73 | 1.5720 | 2.5 | (2,-3,-1) |
| 58.73 | 1.5720 | 4.2 | (3,2,-1) |
| 59.72 | 1.5483 | 2.2 | (1,1,2) |
| 59.85 | 1.5453 | 1.3 | (1,-4,1) |
Energy Properties
Formation Energy/atom
-0.22430
eV/atom
Energy/atom
-13.58669
eV/atom
Energy above Hull
0.0039
eV/atom
Uncorrected Energy
-13.5867
eV/atom
Volume/atom
17.12
ų
c/a Ratio
1.0421
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.710
Family
Binary Alloy
Matrix Element
Ga · 0.833
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30660
Reference Citation
The crystal structure and related material properties of Ga5Pd were obtained from the Materials Project database (MP-ID: mp-30660, 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_Ga5Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45095868
_cell_length_b 6.45095881
_cell_length_c 6.72253002
_cell_angle_alpha 118.67242642
_cell_angle_beta 118.67243017
_cell_angle_gamma 90.00000594
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga5Pd
_chemical_formula_sum 'Ga10 Pd2'
_cell_volume 205.49900384
_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
Ga Ga0 1 -0.00000000 -0.00000000 -0.00000000 1.0
Ga Ga1 1 0.50000000 0.50000000 -0.00000000 1.0
Ga Ga2 1 0.28534574 0.78534574 0.28003619 1.0
Ga Ga3 1 0.49469045 0.28534574 0.28003619 1.0
Ga Ga4 1 0.78534574 0.99469045 0.28003619 1.0
Ga Ga5 1 0.50530955 0.71465426 0.71996381 1.0
Ga Ga6 1 0.21465426 0.00530955 0.71996381 1.0
Ga Ga7 1 0.00530955 0.50530955 0.71996381 1.0
Ga Ga8 1 0.71465426 0.21465426 0.71996381 1.0
Ga Ga9 1 0.99469045 0.49469045 0.28003619 1.0
Pd Pd10 1 0.25000000 0.25000000 0.50000000 1.0
Pd Pd11 1 0.75000000 0.75000000 0.50000000 1.0
