GaAg3
Traditional Materials TRAMP-ID: mp-1184036 · Space group: P6_3/mmc (#194)
Basic Information
Formula
GaAg3
MP-ID
mp-1184036
Elements
2
Sites
8
Density
9.6377
g/cm³
Volume
135.54
ų
Cell a
5.7864
Å
Cell b
5.7864
Å
Cell c
4.6743
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 |
|---|---|---|---|
| 26.07 | 3.4181 | 3.4 | (1,0,-1,1) |
| 30.91 | 2.8932 | 1.3 | (2,-1,-1,0) |
| 35.84 | 2.5056 | 24.3 | (2,0,-2,0) |
| 38.52 | 2.3371 | 26.4 | (0,0,0,2) |
| 40.86 | 2.2083 | 100.0 | (2,0,-2,1) |
| 53.63 | 1.7091 | 14.5 | (2,0,-2,2) |
| 64.41 | 1.4466 | 5.4 | (2,2,-4,0) |
| 64.41 | 1.4466 | 10.8 | (4,-2,-2,0) |
| 71.27 | 1.3231 | 17.9 | (2,0,-2,3) |
| 75.96 | 1.2528 | 1.7 | (4,0,-4,0) |
| 77.62 | 1.2300 | 18.7 | (4,-2,-2,2) |
| 79.15 | 1.2101 | 8.9 | (4,0,-4,1) |
| 79.15 | 1.2101 | 4.4 | (4,-4,0,1) |
| 82.56 | 1.1686 | 2.7 | (0,0,0,4) |
| 88.56 | 1.1042 | 2.3 | (4,0,-4,2) |
| 88.56 | 1.1042 | 1.1 | (4,-4,0,2) |
Energy Properties
Formation Energy/atom
0.01800
eV/atom
Energy/atom
-18.85960
eV/atom
Energy above Hull
0.0332
eV/atom
Uncorrected Energy
-18.8596
eV/atom
Volume/atom
16.94
ų
c/a Ratio
0.8078
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
Ag · 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
0.864
Family
Binary Alloy
Matrix Element
Ag · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184036
Reference Citation
The crystal structure and related material properties of GaAg3 were obtained from the Materials Project database (MP-ID: mp-1184036, 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_GaAg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78638356
_cell_length_b 5.78638356
_cell_length_c 4.67428026
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999247
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAg3
_chemical_formula_sum 'Ga2 Ag6'
_cell_volume 135.53761818
_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
Ag Ag2 1 0.16789237 0.33578573 0.25000000 1.0
Ag Ag3 1 0.66421427 0.83210763 0.25000000 1.0
Ag Ag4 1 0.16789237 0.83210763 0.25000000 1.0
Ag Ag5 1 0.83210763 0.66421427 0.75000000 1.0
Ag Ag6 1 0.33578573 0.16789237 0.75000000 1.0
Ag Ag7 1 0.83210763 0.16789237 0.75000000 1.0
