Na3Cd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-983509 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Na3Cd

MP-ID

mp-983509

Elements

Sites

Density

2.5488

g/cm³

Volume

236.34

Å³

Cell a

6.9713

Cell b

6.9713

Cell c

5.6156

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

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 24)

2θ	d (Å)	I	hkl
14.67	6.0375	34.0	(1,-1,0,0)
14.67	6.0371	34.0	(1,0,-1,0)
14.67	6.0371	34.0	(0,1,-1,0)
21.61	4.1119	66.8	(1,-1,0,1)
21.61	4.1118	66.8	(1,0,-1,1)
21.61	4.1118	66.8	(0,1,-1,1)
25.56	3.4857	31.8	(2,-1,-1,0)
25.56	3.4857	31.8	(1,-2,1,0)
25.56	3.4854	31.8	(1,1,-2,0)
29.59	3.0187	23.7	(2,-2,0,0)
29.59	3.0185	23.7	(2,0,-2,0)
29.59	3.0185	23.7	(0,2,-2,0)
31.87	2.8078	78.2	(0,0,0,2)
33.71	2.6589	100.0	(2,-2,0,1)
33.71	2.6588	50.0	(2,0,-2,1)
33.71	2.6588	50.0	(2,0,-2,-1)
33.71	2.6588	50.0	(0,2,-2,1)
33.71	2.6588	50.0	(0,2,-2,-1)
35.25	2.5460	8.0	(1,-1,0,2)
35.25	2.5459	4.0	(1,0,-1,2)
35.25	2.5459	4.0	(1,0,-1,-2)
35.25	2.5459	4.0	(0,1,-1,2)
35.25	2.5459	4.0	(0,1,-1,-2)
39.49	2.2819	1.7	(3,-2,-1,0)

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Energy Properties

Formation Energy/atom

-0.01454

eV/atom

Energy/atom

-1.26083

eV/atom

Energy above Hull

0.0032

eV/atom

Uncorrected Energy

-7.7244

eV/atom

Volume/atom

29.54

Å³

c/a Ratio

0.8055

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

11.971

GPa

G_VRH

6.122

GPa

Young's Modulus E

15.691

GPa

Poisson Ratio ν

0.282

Pugh Ratio K/G

1.955

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.273

Lame λ

7.890

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Na · 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

0.639

Family

Binary Alloy

Matrix Element

Na · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2730

Homogeneous Poisson ν

0.2820

Debye Temperature

166.3

Sound Velocity

1,727.1

m/s

Homogeneity

0.2820

Related Tasks

Related computation task IDs (4)

aaadmgxo aaadvfjs aaaeijow aaaepksl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-983509

Reference Citation

The crystal structure and related material properties of Na3Cd were obtained from the Materials Project database (MP-ID: mp-983509, 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…

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Raw CIF Data

# generated using pymatgen
data_Na3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97133117
_cell_length_b   6.97131597
_cell_length_c   5.61561042
_cell_angle_alpha   89.99998336
_cell_angle_beta   90.00000045
_cell_angle_gamma   120.00440419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Cd
_chemical_formula_sum   'Na6 Cd2'
_cell_volume   236.34085859
_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
  Na  Na0  1  0.17412052  0.34823091  0.24999983  1.0
  Na  Na1  1  0.65176841  0.82587868  0.24999988  1.0
  Na  Na2  1  0.17411029  0.82589035  0.24999986  1.0
  Na  Na3  1  0.82587941  0.65176923  0.74999911  1.0
  Na  Na4  1  0.34823085  0.17412003  0.74999906  1.0
  Na  Na5  1  0.82589048  0.17410986  0.74999906  1.0
  Cd  Cd6  1  0.33333670  0.66666812  0.74999907  1.0
  Cd  Cd7  1  0.66666235  0.33332882  0.25000013  1.0

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