Basic Information
Formula
HoAu
MP-ID
mp-1007666
Elements
2
Sites
4
Density
12.9481
g/cm³
Volume
92.82
ų
Cell a
3.7083
Å
Cell b
4.6174
Å
Cell c
5.7353
Å
α Angle
90.00
°
β Angle
70.95
°
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 |
|---|---|---|---|
| 16.35 | 5.4212 | 16.3 | (0,0,1) |
| 25.36 | 3.5123 | 6.7 | (1,0,1) |
| 25.41 | 3.5052 | 6.6 | (1,0,0) |
| 32.02 | 2.7955 | 100.0 | (1,1,1) |
| 32.06 | 2.7919 | 99.0 | (1,1,0) |
| 33.05 | 2.7106 | 65.5 | (0,0,2) |
| 34.60 | 2.5925 | 11.3 | (1,0,2) |
| 34.72 | 2.5839 | 11.2 | (1,0,-1) |
| 38.51 | 2.3376 | 52.2 | (0,1,2) |
| 39.01 | 2.3087 | 72.9 | (0,2,0) |
| 39.88 | 2.2606 | 82.0 | (1,1,2) |
| 39.98 | 2.2549 | 81.8 | (1,1,-1) |
| 42.56 | 2.1241 | 3.2 | (0,2,1) |
| 47.11 | 1.9292 | 2.7 | (1,2,1) |
| 47.14 | 1.9280 | 2.7 | (1,2,0) |
| 48.57 | 1.8746 | 5.1 | (1,0,3) |
| 48.72 | 1.8692 | 5.0 | (1,0,-2) |
| 49.14 | 1.8541 | 37.9 | (2,0,1) |
| 50.51 | 1.8071 | 3.5 | (0,0,3) |
| 52.03 | 1.7576 | 36.8 | (0,2,2) |
| 52.70 | 1.7369 | 3.2 | (1,1,3) |
| 52.84 | 1.7326 | 3.1 | (1,1,-2) |
| 53.12 | 1.7241 | 6.7 | (1,2,2) |
| 53.20 | 1.7216 | 6.7 | (1,2,-1) |
Energy Properties
Formation Energy/atom
-0.99560
eV/atom
Energy/atom
-42.72876
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.7288
eV/atom
Volume/atom
23.21
ų
c/a Ratio
1.5466
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
83.589
GPa
GVRH
17.384
GPa
Young's Modulus E
48.771
GPa
Poisson Ratio ν
0.403
Pugh Ratio K/G
4.808
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
11.559
Lame λ
72.000
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
11.5590
Homogeneous Poisson ν
0.4030
Debye Temperature
167.7
K
Sound Velocity
1,312.2
m/s
Homogeneity
0.4030
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1007666
Reference Citation
The crystal structure and related material properties of HoAu were obtained from the Materials Project database (MP-ID: mp-1007666, 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_HoAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70829326
_cell_length_b 4.61736159
_cell_length_c 5.73532315
_cell_angle_alpha 90.00000000
_cell_angle_beta 70.94785362
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoAu
_chemical_formula_sum 'Ho2 Au2'
_cell_volume 92.82385791
_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
Ho Ho0 1 0.13833879 0.75000000 0.72259451 1.0
Ho Ho1 1 0.86166121 0.25000000 0.27740549 1.0
Au Au2 1 0.41158052 0.75000000 0.17713660 1.0
Au Au3 1 0.58841948 0.25000000 0.82286340 1.0
