Basic Information
Formula
DyAu
MP-ID
mp-1007918
Elements
2
Sites
4
Density
12.7010
g/cm³
Volume
93.99
ų
Cell a
3.7286
Å
Cell b
4.6240
Å
Cell c
5.7641
Å
α Angle
90.00
°
β Angle
71.05
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
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 |
|---|---|---|---|
| 16.26 | 5.4518 | 17.6 | (0,0,1) |
| 25.23 | 3.5294 | 7.3 | (1,0,1) |
| 25.25 | 3.5265 | 7.2 | (1,0,0) |
| 25.26 | 3.5264 | 1.2 | (0,1,1) |
| 31.90 | 2.8056 | 100.0 | (1,1,1) |
| 31.92 | 2.8041 | 100.0 | (1,1,0) |
| 32.86 | 2.7259 | 65.7 | (0,0,2) |
| 34.44 | 2.6044 | 11.5 | (1,0,2) |
| 34.48 | 2.6008 | 11.4 | (1,0,-1) |
| 38.33 | 2.3482 | 53.7 | (0,1,2) |
| 38.96 | 2.3120 | 73.3 | (0,2,0) |
| 39.72 | 2.2692 | 83.8 | (1,1,2) |
| 39.76 | 2.2669 | 83.6 | (1,1,-1) |
| 42.47 | 2.1285 | 3.4 | (0,2,1) |
| 46.98 | 1.9340 | 3.0 | (1,2,1) |
| 47.00 | 1.9335 | 3.0 | (1,2,0) |
| 48.32 | 1.8835 | 5.2 | (1,0,3) |
| 48.38 | 1.8813 | 5.2 | (1,0,-2) |
| 48.85 | 1.8643 | 38.6 | (2,0,1) |
| 50.20 | 1.8173 | 3.8 | (0,0,3) |
| 51.85 | 1.7632 | 36.7 | (0,2,2) |
| 52.46 | 1.7444 | 2.9 | (1,1,3) |
| 52.51 | 1.7426 | 2.9 | (1,1,-2) |
| 52.96 | 1.7290 | 6.8 | (1,2,2) |
Energy Properties
Formation Energy/atom
-0.87782
eV/atom
Energy/atom
-4.82395
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.2761
eV/atom
Volume/atom
23.50
ų
c/a Ratio
1.5459
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
KVRH
82.469
GPa
GVRH
17.544
GPa
Young's Modulus E
49.147
GPa
Poisson Ratio ν
0.401
Pugh Ratio K/G
4.701
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
11.011
Lame λ
70.773
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Dy · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1007918
Reference Citation
The crystal structure and related material properties of DyAu were obtained from the Materials Project database (MP-ID: mp-1007918, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_DyAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72855275
_cell_length_b 4.62402105
_cell_length_c 5.76412001
_cell_angle_alpha 90.00000000
_cell_angle_beta 71.05200119
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyAu
_chemical_formula_sum 'Dy2 Au2'
_cell_volume 93.99368884
_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
Dy Dy0 1 0.13858959 0.75000000 0.72277282 1.0
Dy Dy1 1 0.86140910 0.25000000 0.27722712 1.0
Au Au2 1 0.41175012 0.75000000 0.17636020 1.0
Au Au3 1 0.58825119 0.25000000 0.82363986 1.0
