Navigation

HEAS Data Platform · Materials Science Database

Sm5Mg

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979459 · Space group: R32 (#155)

Materials Project API

Basic Information

Formula
Sm5Mg
MP-ID
mp-979459
Elements
2
Sites
6
Density
6.7571
g/cm³
Volume
190.73
ų
Cell a
6.2680
Å
Cell b
6.2682
Å
Cell c
6.6732
Å
α Angle
118.02
°
β Angle
61.98
°
γ Angle
120.02
°
Space Group
R32
Point Group
32
Crystal System
Trigonal
Bravais Lattice
hR
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
15.81 5.6062 16.5 (0,0,1)
17.16 5.1664 4.9 (1,-1,1)
17.17 5.1652 5.0 (0,1,0)
17.17 5.1651 5.0 (1,0,0)
19.46 4.5608 13.2 (1,-1,0)
19.47 4.5603 13.2 (0,1,-1)
19.47 4.5602 13.2 (1,0,1)
26.82 3.3244 18.1 (1,-1,2)
26.82 3.3239 18.2 (0,1,1)
26.82 3.3239 18.2 (1,0,-1)
28.48 3.1341 34.5 (1,-2,1)
28.48 3.1340 34.6 (2,-1,1)
28.49 3.1333 34.4 (1,1,0)
31.93 2.8031 100.0 (0,0,2)
32.73 2.7357 68.9 (1,-2,2)
32.74 2.7357 68.9 (2,-1,2)
32.74 2.7356 68.8 (1,-2,0)
32.74 2.7355 68.7 (2,-1,0)
32.74 2.7351 68.9 (1,1,-1)
32.74 2.7351 68.9 (1,1,1)
33.44 2.6797 13.9 (2,-2,1)
33.45 2.6792 13.7 (0,2,-1)
33.45 2.6791 13.7 (2,0,1)
41.08 2.1972 2.6 (1,-1,3)
Get direct link

Energy Properties

Formation Energy/atom
0.01699
eV/atom
Energy/atom
-4.18691
eV/atom
Energy above Hull
0.0452
eV/atom
Uncorrected Energy
-25.4769
eV/atom
Volume/atom
31.79
ų
c/a Ratio
1.0646

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0003
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
35.469
GPa
GVRH
16.772
GPa
Young's Modulus E
43.465
GPa
Poisson Ratio ν
0.296
Pugh Ratio K/G
2.115
Vickers Hardness Est.
1.334
GPa
Ductility
Brittle
Anisotropy
0.474
Lame λ
24.288
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
0.682
Family
Binary Alloy
Matrix Element
Sm · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4740
Homogeneous Poisson ν
0.2960
Debye Temperature
524.3
K
Sound Velocity
1,758.8
m/s
Homogeneity
0.2960

Related Tasks

Related computation task IDs (2)
aaacfnsr aaaelzff

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-979459
Reference Citation

The crystal structure and related material properties of Sm5Mg were obtained from the Materials Project database (MP-ID: mp-979459, 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   6.26803998
_cell_length_b   6.26820609
_cell_length_c   6.67321548
_cell_angle_alpha   118.02044744
_cell_angle_beta   61.98014502
_cell_angle_gamma   120.01536455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm5Mg
_chemical_formula_sum   'Sm5 Mg1'
_cell_volume   190.72597598
_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  0.70891615  0.37560137  1.00001104  1.0
  Sm  Sm1  1  0.95738319  0.00007290  1.00019692  1.0
  Sm  Sm2  1  0.33338314  0.62404314  -0.00020564  1.0
  Sm  Sm3  1  0.48843509  0.84501604  0.53453054  1.0
  Sm  Sm4  1  0.17835369  0.15508484  0.46545713  1.0
  Mg  Mg5  1  0.83352674  0.50018171  0.50001002  1.0
Get direct link