YMg2
Traditional Materials TRAMP-ID: mp-1094446 · Space group: P-62m (#189)
Basic Information
Formula
YMg2
MP-ID
mp-1094446
Elements
2
Sites
6
Density
2.8825
g/cm³
Volume
158.44
ų
Cell a
5.9224
Å
Cell b
5.9224
Å
Cell c
5.2160
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
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 |
|---|---|---|---|
| 17.00 | 5.2160 | 26.3 | (0,0,0,1) |
| 17.29 | 5.1290 | 11.1 | (1,0,-1,0) |
| 17.29 | 5.1290 | 5.5 | (1,-1,0,0) |
| 24.34 | 3.6571 | 19.0 | (1,0,-1,1) |
| 30.18 | 2.9612 | 37.7 | (2,-1,-1,0) |
| 34.39 | 2.6080 | 21.6 | (0,0,0,2) |
| 34.84 | 2.5752 | 100.0 | (2,-1,-1,1) |
| 34.99 | 2.5645 | 4.0 | (2,0,-2,0) |
| 38.73 | 2.3247 | 4.2 | (1,0,-1,2) |
| 39.14 | 2.3014 | 2.4 | (2,0,-2,1) |
| 39.14 | 2.3014 | 1.2 | (2,-2,0,1) |
| 46.39 | 1.9572 | 22.2 | (2,-1,-1,2) |
| 46.87 | 1.9386 | 1.0 | (2,1,-3,0) |
| 46.87 | 1.9386 | 2.0 | (3,-1,-2,0) |
| 49.87 | 1.8286 | 1.9 | (2,0,-2,2) |
| 50.21 | 1.8171 | 2.8 | (3,-1,-2,1) |
| 50.21 | 1.8171 | 1.4 | (3,-2,-1,1) |
| 52.64 | 1.7387 | 1.3 | (0,0,0,3) |
| 53.61 | 1.7097 | 11.5 | (3,0,-3,0) |
| 53.61 | 1.7097 | 5.8 | (3,-3,0,0) |
| 55.83 | 1.6466 | 1.8 | (1,0,-1,3) |
| 56.66 | 1.6246 | 4.3 | (3,0,-3,1) |
| 56.66 | 1.6246 | 2.1 | (3,-3,0,1) |
| 59.41 | 1.5558 | 2.0 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
0.06342
eV/atom
Energy/atom
-3.19325
eV/atom
Energy above Hull
0.1266
eV/atom
Uncorrected Energy
-3.1933
eV/atom
Volume/atom
26.41
ų
c/a Ratio
0.8807
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
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
0.828
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-1094446
Reference Citation
The crystal structure and related material properties of YMg2 were obtained from the Materials Project database (MP-ID: mp-1094446, 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_YMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92242705
_cell_length_b 5.92242705
_cell_length_c 5.21599800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998936
_symmetry_Int_Tables_number 1
_chemical_formula_structural YMg2
_chemical_formula_sum 'Y2 Mg4'
_cell_volume 158.44098512
_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
Y Y0 1 0.33333300 0.66666700 0.50000000 1.0
Y Y1 1 0.66666700 0.33333300 0.50000000 1.0
Mg Mg2 1 0.68075000 0.00000000 0.00000000 1.0
Mg Mg3 1 0.00000000 0.68075000 0.00000000 1.0
Mg Mg4 1 0.31925000 0.31925000 0.00000000 1.0
Mg Mg5 1 0.00000000 0.00000000 0.50000000 1.0
