CdGe3
Traditional Materials TRAMP-ID: mp-1183666 · Space group: P6_3/mmc (#194)
Basic Information
Formula
CdGe3
MP-ID
mp-1183666
Elements
2
Sites
8
Density
6.6230
g/cm³
Volume
165.64
ų
Cell a
6.1748
Å
Cell b
6.1748
Å
Cell c
5.0164
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
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 16)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.33 | 3.6586 | 5.2 | (1,0,-1,1) |
| 28.92 | 3.0874 | 1.3 | (2,-1,-1,0) |
| 33.52 | 2.6738 | 7.9 | (2,-2,0,0) |
| 33.52 | 2.6738 | 15.9 | (2,0,-2,0) |
| 35.80 | 2.5082 | 26.6 | (0,0,0,2) |
| 38.14 | 2.3595 | 100.0 | (2,0,-2,1) |
| 49.85 | 1.8293 | 15.2 | (2,0,-2,2) |
| 59.92 | 1.5437 | 17.1 | (4,-2,-2,0) |
| 65.88 | 1.4177 | 19.2 | (2,0,-2,3) |
| 70.43 | 1.3369 | 2.6 | (4,0,-4,0) |
| 71.80 | 1.3147 | 19.6 | (4,-2,-2,2) |
| 73.28 | 1.2918 | 4.6 | (4,-4,0,1) |
| 73.28 | 1.2918 | 9.2 | (4,0,-4,1) |
| 75.86 | 1.2541 | 2.8 | (0,0,0,4) |
| 81.60 | 1.1798 | 3.5 | (4,0,-4,2) |
| 85.53 | 1.1354 | 3.1 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
0.29143
eV/atom
Energy/atom
-15.13880
eV/atom
Energy above Hull
0.2914
eV/atom
Uncorrected Energy
-3.4066
eV/atom
Volume/atom
20.71
ų
c/a Ratio
0.8124
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
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
Ge · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.447
Family
Binary Alloy
Matrix Element
Ge · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183666
Reference Citation
The crystal structure and related material properties of CdGe3 were obtained from the Materials Project database (MP-ID: mp-1183666, 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_CdGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17484420
_cell_length_b 6.17484420
_cell_length_c 5.01638000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000215
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdGe3
_chemical_formula_sum 'Cd2 Ge6'
_cell_volume 165.64298892
_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
Cd Cd0 1 0.33333300 0.66666700 0.75000000 1.0
Cd Cd1 1 0.66666700 0.33333300 0.25000000 1.0
Ge Ge2 1 0.16335500 0.32670900 0.25000000 1.0
Ge Ge3 1 0.67329100 0.83664500 0.25000000 1.0
Ge Ge4 1 0.16335500 0.83664500 0.25000000 1.0
Ge Ge5 1 0.83664500 0.67329100 0.75000000 1.0
Ge Ge6 1 0.32670900 0.16335500 0.75000000 1.0
Ge Ge7 1 0.83664500 0.16335500 0.75000000 1.0
