GdAu
Traditional Materials TRAMP-ID: mp-635426 · Space group: Pm-3m (#221)
Basic Information
Formula
GdAu
MP-ID
mp-635426
Elements
2
Sites
2
Density
12.4465
g/cm³
Volume
47.26
ų
Cell a
3.6172
Å
Cell b
3.6146
Å
Cell c
3.6144
Å
α Angle
89.99
°
β Angle
90.00
°
γ Angle
89.99
°
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.61 | 3.6172 | 3.4 | (1,0,0) |
| 24.63 | 3.6146 | 3.4 | (0,1,0) |
| 24.63 | 3.6144 | 3.4 | (0,0,1) |
| 35.09 | 2.5570 | 100.0 | (1,1,0) |
| 35.10 | 2.5569 | 100.0 | (1,0,1) |
| 35.10 | 2.5567 | 100.0 | (1,0,-1) |
| 35.10 | 2.5566 | 100.0 | (1,-1,0) |
| 35.11 | 2.5561 | 99.9 | (0,1,1) |
| 35.11 | 2.5556 | 99.8 | (0,1,-1) |
| 50.46 | 1.8086 | 36.1 | (2,0,0) |
| 50.50 | 1.8073 | 36.0 | (0,2,0) |
| 50.50 | 1.8072 | 36.0 | (0,0,2) |
| 62.95 | 1.4765 | 18.6 | (2,1,1) |
| 62.96 | 1.4764 | 18.6 | (2,1,-1) |
| 62.96 | 1.4763 | 18.6 | (2,-1,-1) |
| 62.96 | 1.4763 | 18.6 | (2,-1,1) |
| 62.97 | 1.4760 | 18.6 | (1,2,1) |
| 62.98 | 1.4759 | 18.6 | (1,1,2) |
| 62.98 | 1.4758 | 18.6 | (1,-2,-1) |
| 62.98 | 1.4758 | 18.6 | (1,-1,-2) |
| 62.98 | 1.4758 | 18.6 | (1,2,-1) |
| 62.99 | 1.4757 | 18.6 | (1,1,-2) |
| 62.99 | 1.4757 | 18.6 | (1,-1,2) |
| 62.99 | 1.4757 | 18.6 | (1,-2,1) |
Energy Properties
Formation Energy/atom
-0.84343
eV/atom
Energy/atom
-47.83441
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-47.8344
eV/atom
Volume/atom
23.63
ų
c/a Ratio
0.9992
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.1802
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.151940
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Gd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Gd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-635426
Reference Citation
The crystal structure and related material properties of GdAu were obtained from the Materials Project database (MP-ID: mp-635426, 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_GdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61720089
_cell_length_b 3.61458049
_cell_length_c 3.61443510
_cell_angle_alpha 89.98953526
_cell_angle_beta 89.99657618
_cell_angle_gamma 89.99166191
_symmetry_Int_Tables_number 1
_chemical_formula_structural GdAu
_chemical_formula_sum 'Gd1 Au1'
_cell_volume 47.25752229
_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 0.49999900 0.50000100 0.49999900 1.0
Au Au1 1 0.00000100 0.99999900 0.00000100 1.0
