Cu
Traditional Materials TRAMP-ID: mp-1056079 · Space group: P2/m (#10)
Basic Information
Formula
Cu
MP-ID
mp-1056079
Elements
1
Sites
1
Density
0.1874
g/cm³
Volume
563.08
ų
Cell a
2.2382
Å
Cell b
11.5703
Å
Cell c
22.2237
Å
α Angle
101.93
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 4.06 | 21.7434 | 100.0 | (0,0,1) |
| 7.81 | 11.3202 | 26.4 | (0,1,0) |
| 8.02 | 11.0173 | 24.9 | (0,1,-1) |
| 8.13 | 10.8717 | 24.3 | (0,0,2) |
| 9.53 | 9.2852 | 17.4 | (0,1,1) |
| 10.05 | 8.8032 | 15.6 | (0,1,-2) |
| 12.21 | 7.2478 | 10.3 | (0,0,3) |
| 12.40 | 7.1383 | 10.0 | (0,1,2) |
| 13.07 | 6.7730 | 8.9 | (0,1,-3) |
| 15.34 | 5.7765 | 6.2 | (0,2,-1) |
| 15.66 | 5.6601 | 6.0 | (0,2,0) |
| 15.82 | 5.6006 | 5.8 | (0,1,3) |
| 16.09 | 5.5087 | 5.6 | (0,2,-2) |
| 16.31 | 5.4359 | 5.4 | (0,0,4) |
| 16.57 | 5.3509 | 5.3 | (0,1,-4) |
| 16.98 | 5.2207 | 5.0 | (0,2,1) |
| 17.78 | 4.9895 | 4.5 | (0,2,-3) |
| 19.12 | 4.6426 | 3.8 | (0,2,2) |
| 19.52 | 4.5470 | 3.6 | (0,1,4) |
| 20.17 | 4.4016 | 3.3 | (0,2,-4) |
| 20.31 | 4.3735 | 3.3 | (0,1,-5) |
| 20.42 | 4.3487 | 3.2 | (0,0,5) |
| 21.83 | 4.0712 | 2.8 | (0,2,3) |
| 23.07 | 3.8550 | 2.4 | (0,2,-5) |
Energy Properties
Formation Energy/atom
1.98293
eV/atom
Energy/atom
-8.86386
eV/atom
Energy above Hull
1.9829
eV/atom
Uncorrected Energy
-2.1163
eV/atom
Volume/atom
563.08
ų
c/a Ratio
9.9293
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0925
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000160
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
0.583
Family
Pure Metal
Matrix Element
Cu · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1056079
Reference Citation
The crystal structure and related material properties of Cu were obtained from the Materials Project database (MP-ID: mp-1056079, 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_Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.23821210
_cell_length_b 11.57025395
_cell_length_c 22.22374172
_cell_angle_alpha 101.93424184
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu
_chemical_formula_sum Cu1
_cell_volume 563.08162228
_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
Cu Cu0 1 0.50000000 0.93440000 0.72190000 1.0
