Basic Information
Formula
InCu
MP-ID
mp-1018053
Elements
2
Sites
4
Density
7.9425
g/cm³
Volume
74.58
ų
Cell a
4.1752
Å
Cell b
4.1781
Å
Cell c
4.9357
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.98
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.62 | 3.6167 | 2.0 | (1,0,-1,0) |
| 30.63 | 2.9186 | 89.2 | (0,1,-1,1) |
| 30.65 | 2.9173 | 89.6 | (1,-1,0,1) |
| 30.65 | 2.9173 | 89.6 | (1,0,-1,1) |
| 36.41 | 2.4678 | 6.2 | (0,0,0,2) |
| 43.31 | 2.0891 | 57.6 | (1,-2,1,0) |
| 43.31 | 2.0891 | 57.6 | (1,1,-2,0) |
| 43.34 | 2.0876 | 57.5 | (2,-1,-1,0) |
| 44.43 | 2.0389 | 50.4 | (0,1,-1,2) |
| 44.44 | 2.0385 | 100.0 | (1,0,-1,2) |
| 53.97 | 1.6990 | 17.6 | (0,2,-2,1) |
| 54.01 | 1.6980 | 34.7 | (2,0,-2,1) |
| 57.83 | 1.5945 | 6.6 | (1,1,-2,2) |
| 57.85 | 1.5938 | 3.3 | (2,-1,-1,2) |
| 61.96 | 1.4977 | 11.3 | (0,1,-1,3) |
| 61.97 | 1.4976 | 11.4 | (1,-1,0,3) |
| 61.97 | 1.4976 | 11.4 | (1,0,-1,3) |
| 63.78 | 1.4593 | 15.9 | (0,2,-2,2) |
| 63.81 | 1.4586 | 16.1 | (2,-2,0,2) |
| 63.81 | 1.4586 | 16.1 | (2,0,-2,2) |
| 71.59 | 1.3181 | 7.3 | (1,-3,2,1) |
| 71.59 | 1.3181 | 7.3 | (1,2,-3,1) |
| 71.61 | 1.3177 | 7.4 | (2,-3,1,1) |
| 71.61 | 1.3177 | 7.4 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
0.01269
eV/atom
Energy/atom
-16.70000
eV/atom
Energy above Hull
0.0499
eV/atom
Uncorrected Energy
-16.7000
eV/atom
Volume/atom
18.65
ų
c/a Ratio
1.1821
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
68.624
GPa
GVRH
19.561
GPa
Young's Modulus E
53.591
GPa
Poisson Ratio ν
0.370
Pugh Ratio K/G
3.508
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.194
Lame λ
55.583
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.591
Family
Binary Alloy
Matrix Element
In · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018053
Reference Citation
The crystal structure and related material properties of InCu were obtained from the Materials Project database (MP-ID: mp-1018053, 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_InCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17516952
_cell_length_b 4.17810650
_cell_length_c 4.93565492
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.97675756
_symmetry_Int_Tables_number 1
_chemical_formula_structural InCu
_chemical_formula_sum 'In2 Cu2'
_cell_volume 74.58142996
_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
In In0 1 0.33309725 0.66619450 0.25000000 1.0
In In1 1 0.66690275 0.33380550 0.75000000 1.0
Cu Cu2 1 0.00000000 -0.00000000 0.50000000 1.0
Cu Cu3 1 0.00000000 -0.00000000 -0.00000000 1.0
