Ho2Au
Traditional Materials TRAMP-ID: mp-30385 · Space group: Pnma (#62)
Basic Information
Formula
Ho2Au
MP-ID
mp-30385
Elements
2
Sites
12
Density
11.4292
g/cm³
Volume
306.17
ų
Cell a
4.9213
Å
Cell b
7.0511
Å
Cell c
8.8233
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 20.13 | 4.4116 | 4.4 | (0,0,2) |
| 20.67 | 4.2980 | 5.9 | (1,0,1) |
| 23.79 | 3.7399 | 7.1 | (0,1,2) |
| 24.25 | 3.6699 | 5.4 | (1,-1,1) |
| 24.25 | 3.6699 | 5.4 | (1,1,1) |
| 25.26 | 3.5255 | 5.4 | (0,2,0) |
| 27.24 | 3.2739 | 6.1 | (0,2,1) |
| 30.01 | 2.9777 | 45.7 | (1,-1,2) |
| 30.01 | 2.9777 | 45.7 | (1,1,2) |
| 31.21 | 2.8660 | 19.3 | (1,-2,0) |
| 31.21 | 2.8660 | 19.3 | (1,2,0) |
| 32.51 | 2.7541 | 30.9 | (0,2,2) |
| 32.86 | 2.7258 | 65.4 | (1,-2,1) |
| 32.86 | 2.7258 | 65.4 | (1,2,1) |
| 33.00 | 2.7144 | 22.2 | (0,1,3) |
| 35.56 | 2.5246 | 100.0 | (1,0,3) |
| 36.52 | 2.4606 | 87.6 | (2,0,0) |
| 37.42 | 2.4034 | 3.0 | (1,-2,2) |
| 37.42 | 2.4034 | 3.0 | (1,2,2) |
| 37.85 | 2.3769 | 2.0 | (1,-1,3) |
| 37.85 | 2.3769 | 2.0 | (1,1,3) |
| 39.69 | 2.2712 | 16.5 | (0,3,1) |
| 39.92 | 2.2584 | 16.0 | (0,2,3) |
| 40.91 | 2.2058 | 18.0 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.74528
eV/atom
Energy/atom
-39.52783
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.5278
eV/atom
Volume/atom
25.51
ų
c/a Ratio
1.7929
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
Ho · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
Ho · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30385
Reference Citation
The crystal structure and related material properties of Ho2Au were obtained from the Materials Project database (MP-ID: mp-30385, 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_Ho2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00017434
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Au
_chemical_formula_sum 'Ho8 Au4'
_cell_volume 306.17047081
_cell_formula_units_Z 4
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 0.24999977 0.98798662 0.67521106 1.0
Ho Ho1 1 0.75000023 0.01201338 0.32478894 1.0
Ho Ho2 1 0.24999977 0.48798662 0.82478894 1.0
Ho Ho3 1 0.75000023 0.51201338 0.17521106 1.0
Ho Ho4 1 0.74999999 0.14765162 0.91690509 1.0
Ho Ho5 1 0.25000001 0.85234838 0.08309491 1.0
Ho Ho6 1 0.74999999 0.64765162 0.58309491 1.0
Ho Ho7 1 0.25000001 0.35234838 0.41690509 1.0
Au Au8 1 0.25000036 0.75772069 0.40412834 1.0
Au Au9 1 0.74999964 0.24227931 0.59587166 1.0
Au Au10 1 0.25000036 0.25772069 0.09587166 1.0
Au Au11 1 0.74999964 0.74227931 0.90412834 1.0
