CdN

Traditional Materials TRA

MP-ID: mp-1008489 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

CdN

MP-ID

mp-1008489

Elements

Sites

Density

7.8781

g/cm³

Volume

26.65

Å³

Cell a

2.9868

Cell b

2.9868

Cell c

2.9868

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 6)

2θ	d (Å)	I	hkl
29.92	2.9868	84.6	(1,0,0)
42.82	2.1120	100.0	(1,1,0)
53.11	1.7245	22.7	(1,1,1)
62.16	1.4934	15.2	(2,0,0)
70.50	1.3358	28.9	(2,1,0)
78.43	1.2194	30.1	(2,1,1)

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Energy Properties

Formation Energy/atom

1.17369

eV/atom

Energy/atom

-13.44318

eV/atom

Energy above Hull

1.1737

eV/atom

Uncorrected Energy

-3.2755

eV/atom

Volume/atom

13.32

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.037550

μB/Å³

Elastic Properties

K_VRH

112.987

GPa

G_VRH

-18.177

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

-6.216

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-6.360

Lame λ

125.105

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.500

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.424

Family

Binary Alloy

Matrix Element

Cd · 0.500

Related Tasks

Related computation task IDs (5)

aaacieaz aaadsbes aaadycfl aaaetsdy aaafigan

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008489

Reference Citation

The crystal structure and related material properties of CdN were obtained from the Materials Project database (MP-ID: mp-1008489, 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_CdN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98683700
_cell_length_b   2.98683700
_cell_length_c   2.98683700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdN
_chemical_formula_sum   'Cd1 N1'
_cell_volume   26.64615610
_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
  Cd  Cd0  1  0.00000000  0.00000000  0.00000000  1.0
  N  N1  1  0.50000000  0.50000000  0.50000000  1.0

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