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GdAu

Traditional Materials TRA

MP-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
Cubic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
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)
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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
-

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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
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
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