K3Cd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-982780 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

K3Cd

MP-ID

mp-982780

Elements

Sites

Density

1.8082

g/cm³

Volume

210.95

Å³

Cell a

5.9529

Cell b

5.9529

Cell c

5.9529

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

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
14.88	5.9529	24.4	(1,0,0)
21.11	4.2093	22.4	(1,1,0)
25.92	3.4369	100.0	(1,1,1)
30.02	2.9765	50.7	(2,0,0)
33.67	2.6622	14.4	(2,1,0)
36.99	2.4303	11.3	(2,1,1)
42.97	2.1047	35.5	(2,2,0)
45.72	1.9843	7.8	(3,0,0)
48.35	1.8825	5.3	(3,1,0)
50.87	1.7949	41.5	(3,1,1)
53.31	1.7185	11.9	(2,2,2)
55.67	1.6510	3.5	(3,2,0)
57.97	1.5910	6.1	(3,2,1)
62.40	1.4882	5.3	(4,0,0)
64.55	1.4438	4.4	(3,2,2)
66.66	1.4031	3.0	(3,3,0)
68.73	1.3657	15.6	(3,3,1)
70.78	1.3311	14.3	(4,2,0)
72.81	1.2990	3.1	(4,2,1)
74.81	1.2692	1.4	(3,3,2)
78.76	1.2151	10.4	(4,2,2)
80.71	1.1906	1.5	(4,3,0)
82.65	1.1675	3.4	(5,1,0)
84.59	1.1456	11.6	(5,1,1)

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Energy Properties

Formation Energy/atom

0.02170

eV/atom

Energy/atom

-9.51824

eV/atom

Energy above Hull

0.0562

eV/atom

Uncorrected Energy

-1.0367

eV/atom

Volume/atom

52.74

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0678

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000320

μB/Å³

Elastic Properties

K_VRH

5.074

GPa

G_VRH

2.625

GPa

Young's Modulus E

6.717

GPa

Poisson Ratio ν

0.279

Pugh Ratio K/G

1.933

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.888

Lame λ

3.324

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

K · 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

0.604

Family

Binary Alloy

Matrix Element

K · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.8880

Homogeneous Poisson ν

0.2790

Debye Temperature

135.2

Sound Velocity

1,342.4

m/s

Homogeneity

0.2790

Related Tasks

Related computation task IDs (5)

aaadoqik aaadvufc aaaeddev aaaeprsp aaafbkox

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982780

Reference Citation

The crystal structure and related material properties of K3Cd were obtained from the Materials Project database (MP-ID: mp-982780, 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_K3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95290400
_cell_length_b   5.95290400
_cell_length_c   5.95290400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Cd
_chemical_formula_sum   'K3 Cd1'
_cell_volume   210.95345214
_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
  K  K0  1  0.00000000  0.50000000  0.50000000  1.0
  K  K1  1  0.50000000  0.00000000  0.50000000  1.0
  K  K2  1  0.50000000  0.50000000  0.00000000  1.0
  Cd  Cd3  1  0.00000000  0.00000000  0.00000000  1.0

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