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Sm5Mg

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-981747 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
Sm5Mg
MP-ID
mp-981747
Elements
2
Sites
6
Density
6.7092
g/cm³
Volume
192.09
ų
Cell a
9.3320
Å
Cell b
9.3320
Å
Cell c
5.7567
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
157.47
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
9.66 9.1522 8.9 (1,-1,0)
15.39 5.7567 4.8 (0,0,1)
18.21 4.8729 6.6 (1,-1,1)
19.40 4.5761 3.3 (2,-2,0)
24.86 3.5822 5.1 (2,-2,1)
24.90 3.5756 3.3 (1,0,0)
28.52 3.1297 19.3 (2,-1,0)
29.27 3.0507 15.4 (3,-3,0)
29.41 3.0374 4.6 (1,0,1)
31.07 2.8784 35.2 (0,0,2)
32.56 2.7496 100.0 (2,-1,1)
32.61 2.7458 1.1 (1,-1,2)
33.24 2.6956 37.7 (3,-3,1)
34.73 2.5833 1.3 (3,-2,0)
36.89 2.4365 1.3 (2,-2,2)
40.22 2.2422 1.9 (1,0,2)
42.55 2.1249 2.0 (4,-3,0)
42.68 2.1186 13.0 (2,-1,2)
43.21 2.0936 10.7 (3,-3,2)
45.50 1.9934 1.2 (4,-3,1)
47.28 1.9226 1.1 (3,-2,2)
50.04 1.8229 9.3 (1,1,0)
51.45 1.7762 16.2 (5,-4,0)
52.46 1.7444 1.3 (5,-5,1)
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Energy Properties

Formation Energy/atom
0.04499
eV/atom
Energy/atom
-4.15891
eV/atom
Energy above Hull
0.0732
eV/atom
Uncorrected Energy
-4.1589
eV/atom
Volume/atom
32.01
ų
c/a Ratio
0.6169

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0021
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
35.158
GPa
GVRH
17.254
GPa
Young's Modulus E
44.485
GPa
Poisson Ratio ν
0.289
Pugh Ratio K/G
2.038
Vickers Hardness Est.
1.602
GPa
Ductility
Brittle
Anisotropy
1.115
Lame λ
23.655
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sm · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.664
Family
Binary Alloy
Matrix Element
Sm · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.1150
Homogeneous Poisson ν
0.2890
Debye Temperature
531.9
K
Sound Velocity
1,788.8
m/s
Homogeneity
0.2890

Related Tasks

Related computation task IDs (1)
aaadxolq

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-981747
Reference Citation

The crystal structure and related material properties of Sm5Mg were obtained from the Materials Project database (MP-ID: mp-981747, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Sm5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33194836
_cell_length_b   9.33194836
_cell_length_c   5.75673300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.47039944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm5Mg
_chemical_formula_sum   'Sm5 Mg1'
_cell_volume   192.08863870
_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  0.99656400  0.00343600  0.00000000  1.0
  Sm  Sm1  1  0.32730600  0.67269400  0.00000000  1.0
  Sm  Sm2  1  0.66729900  0.33270100  0.00000000  1.0
  Sm  Sm3  1  0.44501400  0.55498600  0.50000000  1.0
  Sm  Sm4  1  0.11801100  0.88198900  0.50000000  1.0
  Mg  Mg5  1  0.77913500  0.22086500  0.50000000  1.0
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