Cu
传统材料 TRAMP-ID: mp-1010136 · Space group: I4/mmm (#139)
Basic Information
Formula
Cu
MP-ID
mp-1010136
Elements
1
Sites
1
Density
9.2014
g/cm³
Volume
11.47
ų
Cell a
2.4627
Å
Cell b
2.4627
Å
Cell c
2.4627
Å
α Angle
107.82
°
β Angle
107.82
°
γ Angle
112.83
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 44.14 | 2.0516 | 55.5 | (1,-1,0) |
| 45.68 | 1.9861 | 100.0 | (1,0,-1) |
| 64.20 | 1.4507 | 16.6 | (1,-1,1) |
| 68.93 | 1.3622 | 6.6 | (1,1,-1) |
| 82.31 | 1.1715 | 31.0 | (2,-1,-1) |
| 85.58 | 1.1349 | 14.0 | (1,1,-2) |
Energy Properties
Formation Energy/atom
0.03556
eV/atom
Energy/atom
-10.81123
eV/atom
Energy above Hull
0.0356
eV/atom
Uncorrected Energy
-10.8112
eV/atom
Volume/atom
11.47
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
137.832
GPa
GVRH
92.026
GPa
Young's Modulus E
225.820
GPa
Poisson Ratio ν
0.227
Pugh Ratio K/G
1.498
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-2.623
Lame λ
76.481
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.759
Family
Pure Metal
Matrix Element
Cu · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1010136
Reference Citation
The crystal structure and related material properties of Cu were obtained from the Materials Project database (MP-ID: mp-1010136, 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 2.46270221
_cell_length_b 2.46270221
_cell_length_c 2.46270221
_cell_angle_alpha 107.81653045
_cell_angle_beta 107.81653045
_cell_angle_gamma 112.83384170
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu
_chemical_formula_sum Cu1
_cell_volume 11.46788584
_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 -0.00000000 -0.00000000 -0.00000000 1.0
