Basic Information
Formula
HoHg2
MP-ID
mp-11461
Elements
2
Sites
3
Density
13.2902
g/cm³
Volume
70.73
ų
Cell a
4.8737
Å
Cell b
4.8737
Å
Cell c
3.4385
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 17)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.05 | 4.2208 | 1.5 | (1,0,-1,0) |
| 25.91 | 3.4385 | 13.7 | (0,0,0,1) |
| 33.62 | 2.6658 | 100.0 | (1,0,-1,1) |
| 36.89 | 2.4369 | 94.2 | (2,-1,-1,0) |
| 45.63 | 1.9882 | 6.3 | (2,-1,-1,1) |
| 45.63 | 1.9882 | 12.6 | (1,1,-2,1) |
| 50.76 | 1.7986 | 31.7 | (2,0,-2,1) |
| 53.28 | 1.7192 | 11.1 | (0,0,0,2) |
| 64.38 | 1.4471 | 31.3 | (3,-1,-2,1) |
| 66.45 | 1.4069 | 17.2 | (3,0,-3,0) |
| 66.57 | 1.4048 | 34.3 | (2,-1,-1,2) |
| 72.60 | 1.3021 | 5.0 | (3,0,-3,1) |
| 78.50 | 1.2184 | 10.9 | (4,-2,-2,0) |
| 84.33 | 1.1485 | 3.5 | (4,-2,-2,1) |
| 88.16 | 1.1082 | 11.7 | (4,-1,-3,1) |
| 88.16 | 1.1082 | 2.3 | (1,-4,3,1) |
| 88.37 | 1.1061 | 7.0 | (1,0,-1,3) |
Energy Properties
Formation Energy/atom
-0.45074
eV/atom
Energy/atom
-44.32306
eV/atom
Energy above Hull
0.0226
eV/atom
Uncorrected Energy
-44.3231
eV/atom
Volume/atom
23.58
ų
c/a Ratio
0.7055
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0191
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000270
μB/ų
Elastic Properties
KVRH
63.968
GPa
GVRH
27.217
GPa
Young's Modulus E
71.509
GPa
Poisson Ratio ν
0.314
Pugh Ratio K/G
2.350
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.218
Lame λ
45.823
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hg · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.608
Family
Binary Alloy
Matrix Element
Hg · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11461
Reference Citation
The crystal structure and related material properties of HoHg2 were obtained from the Materials Project database (MP-ID: mp-11461, 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_HoHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87373975
_cell_length_b 4.87373954
_cell_length_c 3.43846283
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000133
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoHg2
_chemical_formula_sum 'Ho1 Hg2'
_cell_volume 70.73259819
_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
Ho Ho0 1 -0.00000000 0.00000000 0.00000000 1.0
Hg Hg1 1 0.66666700 0.33333300 0.50000000 1.0
Hg Hg2 1 0.33333300 0.66666700 0.50000000 1.0
