LaMg15
Traditional Materials TRAMP-ID: mp-1023560 · Space group: P-6m2 (#187)
Basic Information
Formula
LaMg15
MP-ID
mp-1023560
Elements
2
Sites
16
Density
2.1431
g/cm³
Volume
390.12
ų
Cell a
6.5942
Å
Cell b
6.5942
Å
Cell c
10.3597
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
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 |
|---|---|---|---|
| 8.54 | 10.3597 | 24.8 | (0,0,0,1) |
| 15.52 | 5.7107 | 22.1 | (1,0,-1,0) |
| 17.12 | 5.1799 | 6.2 | (0,0,0,2) |
| 17.73 | 5.0012 | 32.8 | (1,0,-1,1) |
| 23.18 | 3.8367 | 18.8 | (1,0,-1,2) |
| 25.80 | 3.4532 | 2.9 | (0,0,0,3) |
| 27.04 | 3.2971 | 6.2 | (2,-1,-1,0) |
| 28.41 | 3.1418 | 11.7 | (2,-1,-1,1) |
| 30.25 | 2.9550 | 10.3 | (1,0,-1,3) |
| 31.33 | 2.8554 | 27.1 | (2,0,-2,0) |
| 32.18 | 2.7814 | 8.0 | (2,-1,-1,2) |
| 32.53 | 2.7527 | 8.0 | (2,0,-2,1) |
| 34.63 | 2.5899 | 24.1 | (0,0,0,4) |
| 35.91 | 2.5006 | 100.0 | (2,0,-2,2) |
| 37.72 | 2.3847 | 4.3 | (2,-1,-1,3) |
| 38.15 | 2.3587 | 4.8 | (1,0,-1,4) |
| 41.02 | 2.2005 | 3.7 | (2,0,-2,3) |
| 41.85 | 2.1585 | 4.1 | (3,-1,-2,0) |
| 42.79 | 2.1131 | 2.4 | (2,1,-3,1) |
| 42.79 | 2.1131 | 4.7 | (3,-1,-2,1) |
| 44.48 | 2.0367 | 3.3 | (2,-1,-1,4) |
| 45.53 | 1.9924 | 3.8 | (3,-1,-2,2) |
| 45.53 | 1.9924 | 1.9 | (3,-2,-1,2) |
| 46.63 | 1.9477 | 2.5 | (1,0,-1,5) |
Energy Properties
Formation Energy/atom
0.04493
eV/atom
Energy/atom
-1.79214
eV/atom
Energy above Hull
0.0724
eV/atom
Uncorrected Energy
-1.7921
eV/atom
Volume/atom
24.38
ų
c/a Ratio
1.5710
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
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 · 0.938
Element Family
N/A
Solute Fraction
0.063
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.792
Family
Mg-based Alloy
Matrix Element
Mg · 0.938
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1023560
Reference Citation
The crystal structure and related material properties of LaMg15 were obtained from the Materials Project database (MP-ID: mp-1023560, 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_LaMg15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59417519
_cell_length_b 6.59417519
_cell_length_c 10.35972200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999189
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMg15
_chemical_formula_sum 'La1 Mg15'
_cell_volume 390.12136122
_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
La La0 1 0.00000000 0.00000000 0.50000000 1.0
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1.0
Mg Mg2 1 0.01094800 0.50547400 0.50000000 1.0
Mg Mg3 1 0.99809900 0.49905000 0.00000000 1.0
Mg Mg4 1 0.49452600 0.50547400 0.50000000 1.0
Mg Mg5 1 0.50095000 0.49905000 0.00000000 1.0
Mg Mg6 1 0.49452600 0.98905200 0.50000000 1.0
Mg Mg7 1 0.50095000 0.00190100 0.00000000 1.0
Mg Mg8 1 0.16824500 0.33649000 0.24403900 1.0
Mg Mg9 1 0.16824500 0.33649000 0.75596100 1.0
Mg Mg10 1 0.16824500 0.83175500 0.24403900 1.0
Mg Mg11 1 0.16824500 0.83175500 0.75596100 1.0
Mg Mg12 1 0.66351000 0.83175500 0.24403900 1.0
Mg Mg13 1 0.66351000 0.83175500 0.75596100 1.0
Mg Mg14 1 0.66666700 0.33333300 0.25497000 1.0
Mg Mg15 1 0.66666700 0.33333300 0.74503000 1.0
