HoMg2
Traditional Materials TRAMP-ID: mp-1184881 · Space group: P6/mmm (#191)
Basic Information
Formula
HoMg2
MP-ID
mp-1184881
Elements
2
Sites
3
Density
4.6466
g/cm³
Volume
76.31
ų
Cell a
5.2032
Å
Cell b
5.2032
Å
Cell c
3.2548
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.70 | 4.5061 | 100.0 | (1,0,-1,0) |
| 27.40 | 3.2548 | 9.9 | (0,0,0,1) |
| 33.98 | 2.6385 | 99.1 | (1,0,-1,1) |
| 34.47 | 2.6016 | 61.6 | (2,-1,-1,0) |
| 40.02 | 2.2531 | 16.8 | (2,0,-2,0) |
| 44.59 | 2.0322 | 16.4 | (2,-1,-1,1) |
| 49.18 | 1.8525 | 35.0 | (2,0,-2,1) |
| 53.83 | 1.7032 | 14.4 | (3,-1,-2,0) |
| 56.55 | 1.6274 | 4.9 | (0,0,0,2) |
| 60.48 | 1.5306 | 10.1 | (1,0,-1,2) |
| 61.44 | 1.5090 | 35.8 | (3,-1,-2,1) |
| 61.76 | 1.5020 | 11.3 | (3,0,-3,0) |
| 67.94 | 1.3797 | 16.9 | (2,-1,-1,2) |
| 68.84 | 1.3638 | 4.7 | (3,0,-3,1) |
| 71.52 | 1.3193 | 6.2 | (2,0,-2,2) |
| 72.69 | 1.3008 | 6.9 | (4,-2,-2,0) |
| 76.17 | 1.2498 | 3.5 | (4,-1,-3,0) |
| 76.17 | 1.2498 | 1.7 | (4,-3,-1,0) |
| 79.32 | 1.2079 | 3.3 | (4,-2,-2,1) |
| 81.87 | 1.1766 | 5.9 | (3,-1,-2,2) |
| 81.87 | 1.1766 | 2.9 | (3,-2,-1,2) |
| 82.72 | 1.1667 | 10.3 | (4,-1,-3,1) |
| 82.72 | 1.1667 | 5.1 | (4,-3,-1,1) |
| 86.37 | 1.1265 | 1.3 | (4,0,-4,0) |
Energy Properties
Formation Energy/atom
-0.03291
eV/atom
Energy/atom
-2.65245
eV/atom
Energy above Hull
0.0099
eV/atom
Uncorrected Energy
-13.7990
eV/atom
Volume/atom
25.44
ų
c/a Ratio
0.6255
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
Mg · 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
0.781
Family
Mg-based Alloy
Matrix Element
Mg · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184881
Reference Citation
The crystal structure and related material properties of HoMg2 were obtained from the Materials Project database (MP-ID: mp-1184881, 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_HoMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20321143
_cell_length_b 5.20321143
_cell_length_c 3.25480031
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999685
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoMg2
_chemical_formula_sum 'Ho1 Mg2'
_cell_volume 76.31289720
_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 0.50000000 1.0
Mg Mg1 1 0.33333300 0.66666700 0.00000000 1.0
Mg Mg2 1 0.66666700 0.33333300 -0.00000000 1.0
