La3Mg
Traditional Materials TRAMP-ID: mp-975341 · Space group: P6_3/mmc (#194)
Basic Information
Formula
La3Mg
MP-ID
mp-975341
Elements
2
Sites
8
Density
5.4487
g/cm³
Volume
268.81
ų
Cell a
7.3550
Å
Cell b
7.3550
Å
Cell c
5.7379
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 |
|---|---|---|---|
| 13.90 | 6.3696 | 2.9 | (1,0,-1,0) |
| 13.90 | 6.3696 | 1.4 | (1,-1,0,0) |
| 20.84 | 4.2632 | 56.7 | (1,0,-1,1) |
| 20.84 | 4.2632 | 28.3 | (1,-1,0,1) |
| 24.20 | 3.6775 | 8.3 | (1,1,-2,0) |
| 24.20 | 3.6775 | 8.3 | (2,-1,-1,0) |
| 24.20 | 3.6775 | 8.3 | (1,-2,1,0) |
| 28.02 | 3.1848 | 24.0 | (2,0,-2,0) |
| 28.02 | 3.1848 | 24.0 | (0,2,-2,0) |
| 28.02 | 3.1848 | 24.0 | (2,-2,0,0) |
| 31.18 | 2.8689 | 74.9 | (0,0,0,2) |
| 32.14 | 2.7846 | 100.0 | (2,0,-2,1) |
| 32.14 | 2.7846 | 100.0 | (0,2,-2,1) |
| 32.14 | 2.7846 | 100.0 | (2,-2,0,1) |
| 34.28 | 2.6158 | 1.0 | (1,0,-1,2) |
| 37.35 | 2.4075 | 3.3 | (2,1,-3,0) |
| 37.35 | 2.4075 | 3.3 | (1,2,-3,0) |
| 37.35 | 2.4075 | 3.3 | (3,-1,-2,0) |
| 37.35 | 2.4075 | 3.3 | (1,-3,2,0) |
| 37.35 | 2.4075 | 3.3 | (3,-2,-1,0) |
| 37.35 | 2.4075 | 3.3 | (2,-3,1,0) |
| 39.85 | 2.2620 | 4.5 | (1,1,-2,2) |
| 39.85 | 2.2620 | 4.5 | (2,-1,-1,2) |
| 39.85 | 2.2620 | 4.5 | (1,-2,1,2) |
Energy Properties
Formation Energy/atom
0.00289
eV/atom
Energy/atom
-4.10674
eV/atom
Energy above Hull
0.0533
eV/atom
Uncorrected Energy
-23.3825
eV/atom
Volume/atom
33.60
ų
c/a Ratio
0.7801
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0058
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 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
0.686
Family
Binary Alloy
Matrix Element
La · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-975341
Reference Citation
The crystal structure and related material properties of La3Mg were obtained from the Materials Project database (MP-ID: mp-975341, 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_La3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35501901
_cell_length_b 7.35501596
_cell_length_c 5.73787020
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99991501
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Mg
_chemical_formula_sum 'La6 Mg2'
_cell_volume 268.81230351
_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
La La0 1 0.17746155 0.35492511 0.25000100 1.0
La La1 1 0.17746155 0.82253645 0.25000100 1.0
La La2 1 0.64507389 0.82253745 0.25000100 1.0
La La3 1 0.35492611 0.17746155 0.75000000 1.0
La La4 1 0.82253745 0.17746155 0.75000000 1.0
La La5 1 0.82253645 0.64507289 0.75000000 1.0
Mg Mg6 1 0.66666700 0.33333200 0.25000100 1.0
Mg Mg7 1 0.33333300 0.66666600 0.75000000 1.0
