SmMg3
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-30779 · Space group: Fm-3m (#225)
Basic Information
Formula
SmMg3
MP-ID
mp-30779
Elements
2
Sites
4
Density
3.7351
g/cm³
Volume
99.26
ų
Cell a
5.1972
Å
Cell b
5.1972
Å
Cell c
5.1972
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
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 |
|---|---|---|---|
| 20.93 | 4.2435 | 83.0 | (1,0,0) |
| 24.22 | 3.6750 | 44.0 | (1,1,0) |
| 34.52 | 2.5986 | 20.0 | (1,1,2) |
| 34.52 | 2.5986 | 100.0 | (1,0,-1) |
| 40.71 | 2.2161 | 7.6 | (1,0,2) |
| 40.71 | 2.2161 | 34.0 | (1,1,-1) |
| 40.71 | 2.2161 | 3.8 | (2,2,1) |
| 42.61 | 2.1217 | 3.3 | (0,0,2) |
| 42.61 | 2.1217 | 10.0 | (2,2,2) |
| 49.61 | 1.8375 | 14.2 | (2,0,2) |
| 49.61 | 1.8375 | 7.1 | (2,2,0) |
| 54.41 | 1.6862 | 1.6 | (1,1,3) |
| 54.41 | 1.6862 | 4.9 | (1,0,-2) |
| 54.41 | 1.6862 | 13.1 | (2,0,-1) |
| 55.95 | 1.6435 | 6.0 | (2,1,3) |
| 55.95 | 1.6435 | 9.1 | (2,1,-1) |
| 55.95 | 1.6435 | 3.0 | (3,2,1) |
| 61.84 | 1.5003 | 7.2 | (1,0,3) |
| 61.84 | 1.5003 | 3.6 | (1,1,-2) |
| 61.84 | 1.5003 | 28.9 | (3,2,3) |
| 61.84 | 1.5003 | 3.6 | (3,3,2) |
| 66.05 | 1.4145 | 2.8 | (0,0,3) |
| 66.05 | 1.4145 | 5.5 | (3,1,3) |
| 66.05 | 1.4145 | 5.5 | (2,2,-1) |
Energy Properties
Formation Energy/atom
-0.08271
eV/atom
Energy/atom
-2.48521
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.6812
eV/atom
Volume/atom
24.82
ų
c/a Ratio
1.0000
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
KVRH
39.515
GPa
GVRH
26.455
GPa
Young's Modulus E
64.885
GPa
Poisson Ratio ν
0.226
Pugh Ratio K/G
1.494
Vickers Hardness Est.
5.498
GPa
Ductility
Ductile
Anisotropy
1.459
Lame λ
21.878
GPa
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
0.806
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.4590
Homogeneous Poisson ν
0.2260
Debye Temperature
436.6
K
Sound Velocity
2,946.6
m/s
Homogeneity
0.2260
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30779
Reference Citation
The crystal structure and related material properties of SmMg3 were obtained from the Materials Project database (MP-ID: mp-30779, 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_SmMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19718074
_cell_length_b 5.19718077
_cell_length_c 5.19718230
_cell_angle_alpha 60.00000336
_cell_angle_beta 60.00000318
_cell_angle_gamma 60.00000613
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmMg3
_chemical_formula_sum 'Sm1 Mg3'
_cell_volume 99.26328363
_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
Sm Sm0 1 0.00000000 -0.00000000 -0.00000000 1.0
Mg Mg1 1 0.50000000 0.50000000 0.50000000 1.0
Mg Mg2 1 0.25000000 0.25000000 0.25000000 1.0
Mg Mg3 1 0.75000000 0.75000000 0.75000000 1.0
