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Sm5Mg

Traditional Materials TRA Elasticity Data ELA

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

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
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 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)
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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)

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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

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
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