Sm

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-86 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

MP-ID

mp-86

Elements

Sites

Density

7.3492

g/cm³

Volume

101.92

Å³

Cell a

9.0144

Cell b

9.0144

Cell c

9.0144

α Angle

23.46

β Angle

23.46

γ Angle

23.46

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
28.32	3.1509	36.3	(1,0,0)
28.94	3.0851	14.8	(1,1,0)
30.61	2.9209	49.3	(3,3,3)
31.30	2.8580	100.0	(2,1,1)
32.97	2.7171	28.7	(1,2,2)
32.97	2.7171	57.3	(2,2,1)
37.09	2.4241	7.5	(3,2,2)
39.47	2.2828	5.2	(2,3,3)
39.47	2.2828	10.4	(3,3,2)
44.77	2.0245	10.1	(4,3,3)
47.63	1.9091	3.8	(4,4,3)
49.76	1.8324	38.3	(1,0,-1)
53.75	1.7054	22.1	(5,4,4)
56.98	1.6161	17.8	(5,5,4)
58.25	1.5840	3.2	(1,1,-1)
58.25	1.5840	1.6	(1,-1,1)
58.59	1.5755	1.4	(2,0,0)
59.56	1.5522	44.7	(4,3,2)
59.97	1.5426	10.5	(2,2,0)
59.97	1.5426	5.2	(2,0,2)
60.99	1.5192	9.8	(3,1,1)
60.99	1.5192	4.9	(1,3,1)
63.66	1.4618	1.0	(3,3,1)
63.72	1.4604	6.1	(6,6,6)

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Energy Properties

Formation Energy/atom

0.00467

eV/atom

Energy/atom

-29.72825

eV/atom

Energy above Hull

0.0047

eV/atom

Uncorrected Energy

-29.7283

eV/atom

Volume/atom

33.97

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

36.407

GPa

G_VRH

23.389

GPa

Young's Modulus E

57.791

GPa

Poisson Ratio ν

0.235

Pugh Ratio K/G

1.557

Vickers Hardness Est.

4.535

GPa

Ductility

Ductile

Anisotropy

0.224

Lame λ

20.814

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.570

Family

Pure Metal

Matrix Element

Sm · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2240

Homogeneous Poisson ν

0.2350

Homogeneity

0.2350

Related Tasks

Related computation task IDs (5)

aaacinjf aaaegqyn aaaeuqfb aaafauev aaafikbe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-86

Reference Citation

The crystal structure and related material properties of Sm were obtained from the Materials Project database (MP-ID: mp-86, 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_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01442802
_cell_length_b   9.01442796
_cell_length_c   9.01442807
_cell_angle_alpha   23.45690444
_cell_angle_beta   23.45690758
_cell_angle_gamma   23.45690471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm3
_cell_volume   101.92044133
_cell_formula_units_Z   3
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
  Sm  Sm1  1  0.22245789  0.22245789  0.22245789  1.0
  Sm  Sm2  1  0.77754211  0.77754211  0.77754211  1.0

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