CdIn
Traditional Materials TRAMP-ID: mp-1183669 · Space group: P-6m2 (#187)
Basic Information
Formula
CdIn
MP-ID
mp-1183669
Elements
2
Sites
2
Density
7.6556
g/cm³
Volume
49.29
ų
Cell a
3.1401
Å
Cell b
3.1401
Å
Cell c
5.7719
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 23)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.99 | 2.8859 | 52.1 | (0,0,0,2) |
| 32.94 | 2.7194 | 11.1 | (1,-1,0,0) |
| 32.94 | 2.7194 | 22.1 | (1,0,-1,0) |
| 36.53 | 2.4601 | 50.0 | (1,-1,0,1) |
| 36.53 | 2.4601 | 100.0 | (1,0,-1,1) |
| 45.85 | 1.9792 | 8.6 | (1,-1,0,2) |
| 45.85 | 1.9792 | 17.2 | (1,0,-1,2) |
| 58.79 | 1.5706 | 35.8 | (1,0,-1,3) |
| 58.81 | 1.5701 | 15.9 | (2,-1,-1,0) |
| 58.81 | 1.5701 | 7.9 | (1,1,-2,0) |
| 64.59 | 1.4430 | 5.9 | (0,0,0,4) |
| 67.97 | 1.3792 | 20.3 | (2,-1,-1,2) |
| 67.97 | 1.3792 | 10.1 | (1,1,-2,2) |
| 69.08 | 1.3597 | 1.2 | (2,-2,0,0) |
| 69.08 | 1.3597 | 2.4 | (2,0,-2,0) |
| 71.25 | 1.3235 | 6.6 | (2,-2,0,1) |
| 71.25 | 1.3235 | 13.2 | (2,0,-2,1) |
| 74.43 | 1.2746 | 1.9 | (1,-1,0,4) |
| 74.43 | 1.2746 | 3.9 | (1,0,-1,4) |
| 77.62 | 1.2300 | 1.7 | (2,-2,0,2) |
| 77.62 | 1.2300 | 3.5 | (2,0,-2,2) |
| 87.94 | 1.1104 | 3.9 | (2,-2,0,3) |
| 87.94 | 1.1104 | 7.8 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
0.05935
eV/atom
Energy/atom
-21.28244
eV/atom
Energy above Hull
0.0594
eV/atom
Uncorrected Energy
-21.2824
eV/atom
Volume/atom
24.64
ų
c/a Ratio
1.8381
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
Cd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.585
Family
Binary Alloy
Matrix Element
Cd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183669
Reference Citation
The crystal structure and related material properties of CdIn were obtained from the Materials Project database (MP-ID: mp-1183669, 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_CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14011479
_cell_length_b 3.14011479
_cell_length_c 5.77184797
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001833
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdIn
_chemical_formula_sum 'Cd1 In1'
_cell_volume 49.28746522
_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
Cd Cd0 1 0.00000000 -0.00000000 0.50000000 1.0
In In1 1 0.66666700 0.33333300 -0.00000000 1.0
