CrN

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018157 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

CrN

MP-ID

mp-1018157

Elements

Sites

Density

5.1475

g/cm³

Volume

21.29

Å³

Cell a

3.1111

Cell b

3.1111

Cell c

3.1111

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

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 6)

2θ	d (Å)	I	hkl
35.33	2.5402	100.0	(1,1,1)
41.03	2.1999	26.0	(1,1,0)
59.42	1.5555	38.9	(2,1,1)
71.06	1.3266	30.4	(2,2,1)
74.74	1.2701	5.4	(2,2,2)
89.00	1.0999	5.5	(2,2,0)

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Energy Properties

Formation Energy/atom

-0.67887

eV/atom

Energy/atom

-12.77991

eV/atom

Energy above Hull

0.0703

eV/atom

Uncorrected Energy

-12.7799

eV/atom

Volume/atom

10.65

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.1734

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.102080

μB/Å³

Elastic Properties

K_VRH

215.484

GPa

G_VRH

80.193

GPa

Young's Modulus E

214.029

GPa

Poisson Ratio ν

0.334

Pugh Ratio K/G

2.687

Vickers Hardness Est.

5.179

GPa

Ductility

Brittle

Anisotropy

0.413

Lame λ

162.022

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 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

0.787

Family

Binary Alloy

Matrix Element

Cr · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4130

Homogeneous Poisson ν

0.3340

Debye Temperature

599.2

Sound Velocity

4,428.5

m/s

Homogeneity

0.3340

Related Tasks

Related computation task IDs (5)

aaaciiww aaadrfqk aaaelcqq aaaetlxa aaafryzr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018157

Reference Citation

The crystal structure and related material properties of CrN were obtained from the Materials Project database (MP-ID: mp-1018157, 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_CrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11106933
_cell_length_b   3.11106933
_cell_length_c   3.11106933
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN
_chemical_formula_sum   'Cr1 N1'
_cell_volume   21.29188297
_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
  Cr  Cr0  1  0.75000000  0.75000000  0.75000000  1.0
  N  N1  1  -0.00000000  -0.00000000  0.00000000  1.0

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