CdN

传统材料 TRA 弹性数据 ELA

MP-ID: mp-1008483 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CdN

MP-ID

mp-1008483

Elements

Sites

Density

7.3767

g/cm³

Volume

56.91

Å³

Cell a

3.3468

Cell b

3.3468

Cell c

5.8673

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 16)

2θ	d (Å)	I	hkl
30.47	2.9337	30.0	(0,0,0,2)
30.85	2.8984	100.0	(1,0,-1,0)
34.51	2.5986	1.8	(1,0,-1,1)
43.91	2.0618	31.2	(1,-1,0,2)
43.91	2.0618	62.3	(1,0,-1,2)
54.86	1.6734	25.5	(2,-1,-1,0)
63.41	1.4668	5.3	(0,0,0,4)
64.06	1.4535	21.5	(2,-1,-1,2)
64.28	1.4492	3.9	(2,-2,0,0)
64.28	1.4492	7.8	(2,0,-2,0)
72.18	1.3088	16.5	(1,0,-1,4)
72.79	1.2993	6.4	(2,-2,0,2)
72.79	1.2993	12.8	(2,0,-2,2)
88.68	1.1031	12.7	(2,-1,-1,4)
89.45	1.0955	6.6	(3,-1,-2,0)
89.45	1.0955	3.3	(2,1,-3,0)

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Energy Properties

Formation Energy/atom

0.96046

eV/atom

Energy/atom

-13.65641

eV/atom

Energy above Hull

0.9605

eV/atom

Uncorrected Energy

-3.4887

eV/atom

Volume/atom

14.23

Å³

c/a Ratio

1.7531

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9976

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.035100

μB/Å³

Elastic Properties

K_VRH

101.532

GPa

G_VRH

19.068

GPa

Young's Modulus E

53.834

GPa

Poisson Ratio ν

0.412

Pugh Ratio K/G

5.325

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

4.722

Lame λ

88.820

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.500

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

4.7220

Homogeneous Poisson ν

0.4120

Debye Temperature

223.9

Sound Velocity

1,822.9

m/s

Homogeneity

0.4120

Related Tasks

Related computation task IDs (5)

aaaciqzt aaadwloo aaadybks aaaetqiu aaafcnlc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008483

Reference Citation

The crystal structure and related material properties of CdN were obtained from the Materials Project database (MP-ID: mp-1008483, 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_CdN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34677237
_cell_length_b   3.34677237
_cell_length_c   5.86733600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdN
_chemical_formula_sum   'Cd2 N2'
_cell_volume   56.91462895
_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
  Cd  Cd0  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.33333300  0.66666700  0.25000000  1.0
  N  N3  1  0.66666700  0.33333300  0.75000000  1.0

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