Cr
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-90 · Space group: Im-3m (#229)
Basic Information
Formula
Cr
MP-ID
mp-90
Elements
1
Sites
2
Density
6.5988
g/cm³
Volume
26.17
ų
Cell a
2.9689
Å
Cell b
2.9689
Å
Cell c
2.9689
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Im-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cI
Stability
Yes
Packing Fraction
0.6802
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 43.09 | 2.0994 | 50.0 | (1,0,1) |
| 43.09 | 2.0994 | 50.0 | (1,1,0) |
| 43.09 | 2.0994 | 50.0 | (0,1,-1) |
| 43.09 | 2.0993 | 50.0 | (0,1,1) |
| 43.09 | 2.0993 | 100.0 | (1,0,-1) |
| 62.57 | 1.4845 | 14.5 | (0,0,2) |
| 62.57 | 1.4845 | 28.9 | (2,0,0) |
| 78.99 | 1.2121 | 6.8 | (2,1,1) |
| 78.99 | 1.2121 | 6.8 | (1,-1,2) |
| 78.99 | 1.2121 | 6.8 | (1,2,-1) |
| 78.99 | 1.2121 | 6.8 | (1,1,2) |
| 78.99 | 1.2121 | 6.8 | (1,2,1) |
| 79.00 | 1.2121 | 6.8 | (2,-1,1) |
| 79.00 | 1.2121 | 6.8 | (2,1,-1) |
| 79.00 | 1.2121 | 6.8 | (1,-2,1) |
| 79.00 | 1.2121 | 6.8 | (1,1,-2) |
| 79.00 | 1.2120 | 13.7 | (1,-1,-2) |
| 79.00 | 1.2120 | 6.8 | (2,-1,-1) |
Energy Properties
Formation Energy/atom
0.00000
eV/atom
Energy/atom
-15.07334
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.0733
eV/atom
Volume/atom
13.08
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
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
233.652
GPa
GVRH
76.972
GPa
Young's Modulus E
208.068
GPa
Poisson Ratio ν
0.352
Pugh Ratio K/G
3.036
Vickers Hardness Est.
3.923
GPa
Ductility
Brittle
Anisotropy
1.436
Lame λ
182.337
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.783
Family
Pure Metal
Matrix Element
Cr · 1.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.4360
Homogeneous Poisson ν
0.3520
Debye Temperature
485.1
K
Sound Velocity
3,840.7
m/s
Homogeneity
0.3520
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-90
Reference Citation
The crystal structure and related material properties of Cr were obtained from the Materials Project database (MP-ID: mp-90, 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_Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96889915
_cell_length_b 2.96889934
_cell_length_c 2.96889957
_cell_angle_alpha 90.00150936
_cell_angle_beta 89.99831571
_cell_angle_gamma 89.99833464
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr
_chemical_formula_sum Cr2
_cell_volume 26.16895773
_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
Cr Cr0 1 0.49999995 0.49999995 0.50000001 1.0
Cr Cr1 1 0.00000005 0.00000005 -0.00000001 1.0
