Cr
传统材料 TRAMP-ID: mp-8633 · Space group: Fm-3m (#225)
Basic Information
Formula
Cr
MP-ID
mp-8633
Elements
1
Sites
1
Density
7.5076
g/cm³
Volume
11.50
ų
Cell a
2.5336
Å
Cell b
2.5336
Å
Cell c
2.5336
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 7)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 43.76 | 2.0687 | 100.0 | (1,1,1) |
| 43.76 | 2.0687 | 33.3 | (1,0,0) |
| 50.97 | 1.7916 | 40.5 | (1,0,1) |
| 50.97 | 1.7916 | 20.3 | (1,1,0) |
| 74.97 | 1.2668 | 5.6 | (1,1,2) |
| 74.97 | 1.2668 | 11.2 | (1,2,1) |
| 74.97 | 1.2668 | 16.8 | (1,0,-1) |
Energy Properties
Formation Energy/atom
0.40253
eV/atom
Energy/atom
-14.67082
eV/atom
Energy above Hull
0.4025
eV/atom
Uncorrected Energy
-9.2505
eV/atom
Volume/atom
11.50
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
233.911
GPa
GVRH
-121.246
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-1.929
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.421
Lame λ
314.742
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.583
Family
Pure Metal
Matrix Element
Cr · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-8633
Reference Citation
The crystal structure and related material properties of Cr were obtained from the Materials Project database (MP-ID: mp-8633, 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 2.53363952
_cell_length_b 2.53364016
_cell_length_c 2.53364054
_cell_angle_alpha 59.99999498
_cell_angle_beta 59.99998664
_cell_angle_gamma 59.99999197
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr
_chemical_formula_sum Cr1
_cell_volume 11.50057812
_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
