DyMg2
Traditional Materials TRAMP-ID: mp-1183833 · Space group: P6/mmm (#191)
Basic Information
Formula
DyMg2
MP-ID
mp-1183833
Elements
2
Sites
3
Density
4.5680
g/cm³
Volume
76.74
ų
Cell a
5.2123
Å
Cell b
5.2123
Å
Cell c
3.2617
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 |
|---|---|---|---|
| 19.67 | 4.5140 | 99.8 | (1,0,-1,0) |
| 27.34 | 3.2617 | 9.8 | (0,0,0,1) |
| 33.91 | 2.6438 | 100.0 | (1,0,-1,1) |
| 34.41 | 2.6061 | 62.3 | (2,-1,-1,0) |
| 39.95 | 2.2570 | 16.7 | (2,0,-2,0) |
| 44.50 | 2.0360 | 10.8 | (2,-1,-1,1) |
| 44.50 | 2.0360 | 5.4 | (1,1,-2,1) |
| 49.09 | 1.8560 | 35.3 | (2,0,-2,1) |
| 53.73 | 1.7061 | 14.3 | (3,-1,-2,0) |
| 56.42 | 1.6309 | 5.0 | (0,0,0,2) |
| 60.35 | 1.5338 | 10.1 | (1,0,-1,2) |
| 61.32 | 1.5118 | 36.1 | (3,-1,-2,1) |
| 61.64 | 1.5047 | 11.4 | (3,0,-3,0) |
| 67.78 | 1.3825 | 17.1 | (2,-1,-1,2) |
| 68.70 | 1.3663 | 4.6 | (3,0,-3,1) |
| 71.35 | 1.3219 | 2.1 | (2,-2,0,2) |
| 71.35 | 1.3219 | 4.1 | (2,0,-2,2) |
| 72.54 | 1.3031 | 4.7 | (4,-2,-2,0) |
| 72.54 | 1.3031 | 2.3 | (2,2,-4,0) |
| 76.02 | 1.2520 | 3.5 | (4,-1,-3,0) |
| 76.02 | 1.2520 | 1.7 | (3,1,-4,0) |
| 79.15 | 1.2101 | 2.1 | (4,-2,-2,1) |
| 79.15 | 1.2101 | 1.1 | (2,2,-4,1) |
| 81.68 | 1.1789 | 5.8 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
-0.04006
eV/atom
Energy/atom
-2.66650
eV/atom
Energy above Hull
0.0122
eV/atom
Uncorrected Energy
-13.5080
eV/atom
Volume/atom
25.58
ų
c/a Ratio
0.6258
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
0.779
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-1183833
Reference Citation
The crystal structure and related material properties of DyMg2 were obtained from the Materials Project database (MP-ID: mp-1183833, 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_DyMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21228966
_cell_length_b 5.21228966
_cell_length_c 3.26173352
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000406
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyMg2
_chemical_formula_sum 'Dy1 Mg2'
_cell_volume 76.74254116
_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
Dy Dy0 1 0.00000000 0.00000000 0.00000000 1.0
Mg Mg1 1 0.33333300 0.66666700 0.50000000 1.0
Mg Mg2 1 0.66666700 0.33333300 0.50000000 1.0
