GaGe3
Traditional Materials TRAMP-ID: mp-1184140 · Space group: P6_3/mmc (#194)
Basic Information
Formula
GaGe3
MP-ID
mp-1184140
Elements
2
Sites
8
Density
6.1161
g/cm³
Volume
156.19
ų
Cell a
5.9850
Å
Cell b
5.9850
Å
Cell c
5.0350
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 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 34.61 | 2.5916 | 23.4 | (2,0,-2,0) |
| 35.66 | 2.5175 | 28.8 | (0,0,0,2) |
| 39.09 | 2.3043 | 100.0 | (2,0,-2,1) |
| 50.54 | 1.8058 | 15.6 | (2,0,-2,2) |
| 62.03 | 1.4963 | 16.5 | (4,-2,-2,0) |
| 66.36 | 1.4087 | 20.3 | (2,0,-2,3) |
| 73.02 | 1.2958 | 1.7 | (4,0,-4,0) |
| 73.65 | 1.2862 | 19.7 | (4,-2,-2,2) |
| 75.53 | 1.2587 | 3.1 | (0,0,0,4) |
| 75.81 | 1.2549 | 13.6 | (4,0,-4,1) |
| 84.00 | 1.1521 | 3.5 | (4,0,-4,2) |
| 85.82 | 1.1323 | 3.3 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
0.25461
eV/atom
Energy/atom
-13.01007
eV/atom
Energy above Hull
0.2546
eV/atom
Uncorrected Energy
-3.9697
eV/atom
Volume/atom
19.52
ų
c/a Ratio
0.8413
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.552
Family
Binary Alloy
Matrix Element
Ge · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184140
Reference Citation
The crystal structure and related material properties of GaGe3 were obtained from the Materials Project database (MP-ID: mp-1184140, 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_GaGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98503581
_cell_length_b 5.98503581
_cell_length_c 5.03495200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999791
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaGe3
_chemical_formula_sum 'Ga2 Ge6'
_cell_volume 156.19225035
_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
Ga Ga0 1 0.33333300 0.66666700 0.75000000 1.0
Ga Ga1 1 0.66666700 0.33333300 0.25000000 1.0
Ge Ge2 1 0.16356200 0.32712400 0.25000000 1.0
Ge Ge3 1 0.67287600 0.83643800 0.25000000 1.0
Ge Ge4 1 0.16356200 0.83643800 0.25000000 1.0
Ge Ge5 1 0.83643800 0.67287600 0.75000000 1.0
Ge Ge6 1 0.32712400 0.16356200 0.75000000 1.0
Ge Ge7 1 0.83643800 0.16356200 0.75000000 1.0
