Cu
Traditional Materials TRAMP-ID: mp-1059259 · Space group: Cmcm (#63)
Basic Information
Formula
Cu
MP-ID
mp-1059259
Elements
1
Sites
2
Density
8.7978
g/cm³
Volume
23.99
ų
Cell a
2.4369
Å
Cell b
2.4755
Å
Cell c
4.1589
Å
α Angle
89.99
°
β Angle
107.04
°
γ Angle
90.00
°
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 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.36 | 3.9764 | 5.8 | (0,0,1) |
| 38.64 | 2.3300 | 100.0 | (1,0,-1) |
| 43.04 | 2.1017 | 80.8 | (0,1,1) |
| 43.04 | 2.1014 | 80.9 | (0,1,-1) |
| 45.63 | 1.9882 | 65.1 | (0,0,2) |
| 50.90 | 1.7941 | 64.5 | (1,0,-2) |
| 54.05 | 1.6967 | 44.6 | (1,-1,-1) |
| 54.05 | 1.6966 | 44.2 | (1,1,-1) |
| 59.64 | 1.5502 | 1.4 | (0,1,2) |
| 59.65 | 1.5500 | 1.4 | (0,1,-2) |
| 64.10 | 1.4527 | 15.2 | (1,-1,-2) |
| 64.11 | 1.4526 | 15.4 | (1,1,-2) |
| 70.73 | 1.3320 | 7.8 | (1,0,-3) |
| 71.13 | 1.3255 | 1.8 | (0,0,3) |
| 77.05 | 1.2378 | 12.7 | (0,2,0) |
| 78.50 | 1.2185 | 12.1 | (2,0,-1) |
| 82.18 | 1.1730 | 16.3 | (1,-1,-3) |
| 82.19 | 1.1729 | 16.2 | (1,1,-3) |
| 82.56 | 1.1686 | 9.3 | (0,1,3) |
| 82.57 | 1.1684 | 9.4 | (0,1,-3) |
| 89.70 | 1.0931 | 7.5 | (1,-2,-1) |
| 89.70 | 1.0931 | 7.7 | (1,2,-1) |
Energy Properties
Formation Energy/atom
0.15577
eV/atom
Energy/atom
-10.69103
eV/atom
Energy above Hull
0.1558
eV/atom
Uncorrected Energy
-10.6910
eV/atom
Volume/atom
11.99
ų
c/a Ratio
1.7066
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
Cu · 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
0.679
Family
Pure Metal
Matrix Element
Cu · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1059259
Reference Citation
The crystal structure and related material properties of Cu were obtained from the Materials Project database (MP-ID: mp-1059259, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43692738
_cell_length_b 2.47549552
_cell_length_c 4.15887435
_cell_angle_alpha 89.99257795
_cell_angle_beta 107.03640099
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu
_chemical_formula_sum Cu2
_cell_volume 23.98790898
_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
Cu Cu0 1 0.86613536 0.74959639 0.73226871 1.0
Cu Cu1 1 0.13386464 0.25040361 0.26773129 1.0
