Cr
Traditional Materials TRAMP-ID: mp-1059289 · Space group: Cmcm (#63)
Basic Information
Formula
Cr
MP-ID
mp-1059289
Elements
1
Sites
2
Density
7.5072
g/cm³
Volume
23.00
ų
Cell a
2.2941
Å
Cell b
2.7207
Å
Cell c
4.0643
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
114.94
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 42.88 | 2.1089 | 100.0 | (0,1,1) |
| 43.50 | 2.0802 | 22.6 | (1,-1,0) |
| 43.50 | 2.0802 | 22.6 | (1,0,0) |
| 44.59 | 2.0322 | 44.3 | (0,0,2) |
| 49.20 | 1.8518 | 33.9 | (1,-1,1) |
| 49.20 | 1.8518 | 33.9 | (1,0,1) |
| 64.06 | 1.4537 | 12.5 | (1,-1,2) |
| 64.06 | 1.4537 | 12.5 | (1,0,2) |
| 70.44 | 1.3367 | 5.6 | (1,-2,0) |
| 70.44 | 1.3367 | 5.6 | (1,1,0) |
| 74.77 | 1.2698 | 6.6 | (1,-2,1) |
| 74.77 | 1.2698 | 6.6 | (1,1,1) |
| 77.36 | 1.2335 | 7.1 | (0,2,0) |
| 80.96 | 1.1875 | 12.6 | (0,1,3) |
| 84.46 | 1.1471 | 5.6 | (2,-1,0) |
| 85.54 | 1.1353 | 5.8 | (1,-1,3) |
| 85.54 | 1.1353 | 5.8 | (1,0,3) |
| 87.31 | 1.1167 | 6.1 | (1,-2,2) |
| 87.31 | 1.1167 | 6.1 | (1,1,2) |
Energy Properties
Formation Energy/atom
0.33591
eV/atom
Energy/atom
-14.73743
eV/atom
Energy above Hull
0.3359
eV/atom
Uncorrected Energy
-9.3171
eV/atom
Volume/atom
11.50
ų
c/a Ratio
1.7716
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
Elastic data not available
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
0.583
Family
Pure Metal
Matrix Element
Cr · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1059289
Reference Citation
The crystal structure and related material properties of Cr were obtained from the Materials Project database (MP-ID: mp-1059289, 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 2.29410101
_cell_length_b 2.72065047
_cell_length_c 4.06431074
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 114.93621880
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr
_chemical_formula_sum Cr2
_cell_volume 23.00239265
_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 0.87053457 0.74106715 0.75000000 1.0
Cr Cr1 1 0.12946543 0.25893285 0.25000000 1.0
