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Sm3Cd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979339 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Sm3Cd
MP-ID
mp-979339
Elements
2
Sites
8
Density
7.7323
g/cm³
Volume
242.02
ų
Cell a
7.0923
Å
Cell b
7.0923
Å
Cell c
5.5560
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 18)
2θd (Å)Ihkl
21.57 4.1203 2.3 (1,0,-1,1)
29.08 3.0710 23.9 (2,0,-2,0)
32.22 2.7780 24.6 (0,0,0,2)
33.34 2.6878 100.0 (2,0,-2,1)
43.95 2.0602 15.5 (2,0,-2,2)
51.54 1.7731 6.3 (2,2,-4,0)
51.54 1.7731 12.6 (4,-2,-2,0)
58.17 1.5859 20.1 (2,0,-2,3)
60.27 1.5355 2.9 (4,0,-4,0)
62.10 1.4946 21.4 (4,-2,-2,2)
62.78 1.4800 15.4 (4,0,-4,1)
67.42 1.3890 2.9 (0,0,0,4)
70.01 1.3439 3.7 (4,0,-4,2)
75.06 1.2656 3.1 (2,0,-2,4)
81.41 1.1821 7.4 (4,0,-4,3)
83.24 1.1607 2.3 (6,-2,-4,0)
85.45 1.1362 12.7 (6,-2,-4,1)
89.67 1.0934 8.1 (4,-2,-2,4)
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Energy Properties

Formation Energy/atom
-0.08276
eV/atom
Energy/atom
-3.86171
eV/atom
Energy above Hull
0.0677
eV/atom
Uncorrected Energy
-3.8617
eV/atom
Volume/atom
30.25
ų
c/a Ratio
0.7834

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.0909
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.004510
μB/ų

Elastic Properties

KVRH
41.081
GPa
GVRH
20.619
GPa
Young's Modulus E
52.991
GPa
Poisson Ratio ν
0.285
Pugh Ratio K/G
1.992
Vickers Hardness Est.
2.243
GPa
Ductility
Brittle
Anisotropy
0.058
Lame λ
27.335
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sm · 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
0.596
Family
Binary Alloy
Matrix Element
Sm · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0580
Homogeneous Poisson ν
0.2850
Debye Temperature
297.6
K
Sound Velocity
1,820.6
m/s
Homogeneity
0.2850

Related Tasks

Related computation task IDs (2)
aaadvctd aaadxcjt

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-979339
Reference Citation

The crystal structure and related material properties of Sm3Cd were obtained from the Materials Project database (MP-ID: mp-979339, 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_Sm3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09224582
_cell_length_b   7.09224582
_cell_length_c   5.55596400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Cd
_chemical_formula_sum   'Sm6 Cd2'
_cell_volume   242.02354742
_cell_formula_units_Z   2
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  0.17331700  0.34663400  0.25000000  1.0
  Sm  Sm1  1  0.65336600  0.82668300  0.25000000  1.0
  Sm  Sm2  1  0.17331700  0.82668300  0.25000000  1.0
  Sm  Sm3  1  0.82668300  0.65336600  0.75000000  1.0
  Sm  Sm4  1  0.34663400  0.17331700  0.75000000  1.0
  Sm  Sm5  1  0.82668300  0.17331700  0.75000000  1.0
  Cd  Cd6  1  0.33333300  0.66666700  0.75000000  1.0
  Cd  Cd7  1  0.66666700  0.33333300  0.25000000  1.0
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