CrN
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1009485 · Space group: Pm-3m (#221)
Basic Information
Formula
CrN
MP-ID
mp-1009485
Elements
2
Sites
2
Density
6.8371
g/cm³
Volume
16.03
ų
Cell a
2.5214
Å
Cell b
2.5214
Å
Cell c
2.5214
Å
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
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 5)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 35.61 | 2.5214 | 59.2 | (1,0,0) |
| 51.24 | 1.7829 | 100.0 | (1,1,0) |
| 63.95 | 1.4558 | 13.4 | (1,1,1) |
| 75.40 | 1.2607 | 13.2 | (2,0,0) |
| 86.26 | 1.1276 | 16.7 | (2,1,0) |
Energy Properties
Formation Energy/atom
-0.07038
eV/atom
Energy/atom
-12.17143
eV/atom
Energy above Hull
0.6788
eV/atom
Uncorrected Energy
-8.8270
eV/atom
Volume/atom
8.02
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9295
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.057990
μB/ų
Elastic Properties
KVRH
313.927
GPa
GVRH
140.253
GPa
Young's Modulus E
366.220
GPa
Poisson Ratio ν
0.306
Pugh Ratio K/G
2.238
Vickers Hardness Est.
11.047
GPa
Ductility
Brittle
Anisotropy
8.229
Lame λ
220.425
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
A
Score
0.634
Family
Binary Alloy
Matrix Element
Cr · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
8.2290
Homogeneous Poisson ν
0.3060
Debye Temperature
752.9
K
Sound Velocity
5,062.6
m/s
Homogeneity
0.3060
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009485
Reference Citation
The crystal structure and related material properties of CrN were obtained from the Materials Project database (MP-ID: mp-1009485, 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 2.52143300
_cell_length_b 2.52143300
_cell_length_c 2.52143300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrN
_chemical_formula_sum 'Cr1 N1'
_cell_volume 16.03032390
_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 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.50000000 0.50000000 0.50000000 1.0
