HoMg3
Traditional Materials TRAMP-ID: mp-1184888 · Space group: P6_3/mmc (#194)
Basic Information
Formula
HoMg3
MP-ID
mp-1184888
Elements
2
Sites
8
Density
4.0193
g/cm³
Volume
196.53
ų
Cell a
6.6328
Å
Cell b
6.6328
Å
Cell c
5.1582
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
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 |
|---|---|---|---|
| 15.43 | 5.7442 | 19.5 | (1,-1,0,0) |
| 15.43 | 5.7442 | 39.1 | (1,0,-1,0) |
| 23.18 | 3.8379 | 49.8 | (1,-1,0,1) |
| 23.18 | 3.8379 | 99.6 | (1,0,-1,1) |
| 26.88 | 3.3164 | 45.5 | (2,-1,-1,0) |
| 26.88 | 3.3164 | 22.7 | (1,1,-2,0) |
| 31.14 | 2.8721 | 12.1 | (2,-2,0,0) |
| 31.14 | 2.8721 | 24.2 | (2,0,-2,0) |
| 34.78 | 2.5791 | 36.1 | (0,0,0,2) |
| 35.78 | 2.5093 | 50.0 | (2,-2,0,1) |
| 35.78 | 2.5093 | 100.0 | (2,0,-2,1) |
| 38.25 | 2.3528 | 4.3 | (1,-1,0,2) |
| 38.25 | 2.3528 | 8.6 | (1,0,-1,2) |
| 41.60 | 2.1711 | 4.0 | (3,-2,-1,0) |
| 41.60 | 2.1711 | 4.0 | (3,-1,-2,0) |
| 41.60 | 2.1711 | 4.0 | (2,1,-3,0) |
| 44.50 | 2.0359 | 23.8 | (2,-1,-1,2) |
| 44.50 | 2.0359 | 11.9 | (1,1,-2,2) |
| 45.32 | 2.0011 | 16.4 | (3,-2,-1,1) |
| 45.32 | 2.0011 | 16.4 | (3,-1,-2,1) |
| 45.32 | 2.0011 | 16.4 | (2,1,-3,1) |
| 47.37 | 1.9190 | 7.5 | (2,-2,0,2) |
| 47.37 | 1.9190 | 15.0 | (2,0,-2,2) |
| 47.48 | 1.9147 | 4.9 | (3,-3,0,0) |
Energy Properties
Formation Energy/atom
-0.02762
eV/atom
Energy/atom
-2.39989
eV/atom
Energy above Hull
0.0111
eV/atom
Uncorrected Energy
-11.4041
eV/atom
Volume/atom
24.57
ų
c/a Ratio
0.7777
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.4208
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.002140
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.799
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184888
Reference Citation
The crystal structure and related material properties of HoMg3 were obtained from the Materials Project database (MP-ID: mp-1184888, 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_HoMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63283469
_cell_length_b 6.63283469
_cell_length_c 5.15819866
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00007113
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoMg3
_chemical_formula_sum 'Ho2 Mg6'
_cell_volume 196.52903962
_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 0.66666700 0.33333300 0.25000000 1.0
Ho Ho1 1 0.33333300 0.66666700 0.75000000 1.0
Mg Mg2 1 0.16356641 0.32713283 0.25000000 1.0
Mg Mg3 1 0.16356641 0.83643359 0.25000000 1.0
Mg Mg4 1 0.67286717 0.83643359 0.25000000 1.0
Mg Mg5 1 0.32713283 0.16356641 0.75000000 1.0
Mg Mg6 1 0.83643359 0.16356641 0.75000000 1.0
Mg Mg7 1 0.83643359 0.67286717 0.75000000 1.0
