SmCd3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979465 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

SmCd3

MP-ID

mp-979465

Elements

Sites

Density

8.4201

g/cm³

Volume

192.32

Å³

Cell a

6.6974

Cell b

6.6974

Cell c

4.9508

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

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 20)

2θ	d (Å)	I	hkl
23.63	3.7656	4.0	(1,0,-1,1)
26.62	3.3487	1.2	(2,-1,-1,0)
30.83	2.9001	37.6	(2,0,-2,0)
35.89	2.5023	100.0	(2,-2,0,1)
35.89	2.5023	50.0	(2,0,-2,1)
36.29	2.4754	32.7	(0,0,0,2)
41.18	2.1922	1.8	(3,-1,-2,0)
48.34	1.8828	14.0	(2,-2,0,2)
48.34	1.8828	7.0	(2,0,-2,2)
50.69	1.8009	1.3	(3,0,-3,1)
54.83	1.6744	27.8	(4,-2,-2,0)
64.24	1.4500	4.2	(4,0,-4,0)
65.03	1.4343	25.2	(2,0,-2,3)
67.28	1.3916	21.8	(4,0,-4,1)
67.54	1.3869	29.1	(4,-2,-2,2)
76.07	1.2512	3.4	(4,-4,0,2)
76.07	1.2512	1.7	(4,0,-4,2)
77.05	1.2377	3.5	(0,0,0,4)
85.25	1.1384	4.0	(2,0,-2,4)
89.39	1.0961	2.2	(6,-2,-4,0)

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Energy Properties

Formation Energy/atom

-0.26855

eV/atom

Energy/atom

-2.16821

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.8533

eV/atom

Volume/atom

24.04

Å³

c/a Ratio

0.7392

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0158

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

K_VRH

54.374

GPa

G_VRH

20.865

GPa

Young's Modulus E

55.496

GPa

Poisson Ratio ν

0.330

Pugh Ratio K/G

2.606

Vickers Hardness Est.

0.857

GPa

Ductility

Brittle

Anisotropy

0.506

Lame λ

40.464

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.641

Family

Binary Alloy

Matrix Element

Cd · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5060

Homogeneous Poisson ν

0.3300

Debye Temperature

205.8

Sound Velocity

1,765.1

m/s

Homogeneity

0.3300

Related Tasks

Related computation task IDs (5)

aaadofyc aaadupyf aaaelhhp aaaepzqs aaafbhci

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-979465

Reference Citation

The crystal structure and related material properties of SmCd3 were obtained from the Materials Project database (MP-ID: mp-979465, 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_SmCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69739413
_cell_length_b   6.69739463
_cell_length_c   4.95080160
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCd3
_chemical_formula_sum   'Sm2 Cd6'
_cell_volume   192.31709437
_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  0.33333400  0.66666700  0.75000100  1.0
  Sm  Sm1  1  0.66666600  0.33333300  0.25000000  1.0
  Cd  Cd2  1  0.15890712  0.31781325  0.25000000  1.0
  Cd  Cd3  1  0.68218475  0.84109288  0.25000000  1.0
  Cd  Cd4  1  0.15890812  0.84109288  0.25000000  1.0
  Cd  Cd5  1  0.84109288  0.68218675  0.75000100  1.0
  Cd  Cd6  1  0.31781525  0.15890712  0.75000100  1.0
  Cd  Cd7  1  0.84109388  0.15890712  0.75000100  1.0

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