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Ga3Ag

Traditional Materials TRA

MP-ID: mp-1184301 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Ga3Ag
MP-ID
mp-1184301
Elements
2
Sites
8
Density
6.9929
g/cm³
Volume
150.57
ų
Cell a
5.8144
Å
Cell b
5.8144
Å
Cell c
5.1428
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 21)
2θd (Å)Ihkl
17.61 5.0354 1.8 (1,0,-1,0)
24.75 3.5979 5.0 (1,0,-1,1)
30.76 2.9072 1.9 (2,-1,-1,0)
34.89 2.5714 32.3 (0,0,0,2)
35.66 2.5177 22.8 (2,0,-2,0)
39.87 2.2613 100.0 (2,0,-2,1)
47.19 1.9261 1.1 (2,-1,-1,2)
50.75 1.7990 16.2 (2,0,-2,2)
64.06 1.4536 10.4 (4,-2,-2,0)
64.06 1.4536 5.2 (2,2,-4,0)
65.92 1.4170 21.4 (2,0,-2,3)
73.68 1.2857 3.4 (0,0,0,4)
75.07 1.2654 12.9 (4,-2,-2,2)
75.07 1.2654 6.4 (2,2,-4,2)
75.53 1.2589 1.6 (4,0,-4,0)
78.17 1.2228 4.3 (4,-4,0,1)
78.17 1.2228 8.6 (4,0,-4,1)
84.64 1.1450 1.2 (2,-2,0,4)
84.64 1.1450 2.3 (2,0,-2,4)
85.98 1.1306 1.1 (4,-4,0,2)
85.98 1.1306 2.3 (4,0,-4,2)
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Energy Properties

Formation Energy/atom
0.07368
eV/atom
Energy/atom
-13.84738
eV/atom
Energy above Hull
0.0813
eV/atom
Uncorrected Energy
-2.9163
eV/atom
Volume/atom
18.82
ų
c/a Ratio
0.8845

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0014
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
Ga · 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
0.667
Family
Binary Alloy
Matrix Element
Ga · 0.750

Related Tasks

Related computation task IDs (5)
aaadoezu aaadvsdm aaaefwti aaaeqfjl aaafbahv

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1184301
Reference Citation

The crystal structure and related material properties of Ga3Ag were obtained from the Materials Project database (MP-ID: mp-1184301, 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
Raw CIF Data 
# generated using pymatgen
data_Ga3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81435686
_cell_length_b   5.81435686
_cell_length_c   5.14281100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000983
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Ag
_chemical_formula_sum   'Ga6 Ag2'
_cell_volume   150.56863738
_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  0.16650100  0.33300200  0.25000000  1.0
  Ga  Ga1  1  0.66699800  0.83349900  0.25000000  1.0
  Ga  Ga2  1  0.16650100  0.83349900  0.25000000  1.0
  Ga  Ga3  1  0.83349900  0.66699800  0.75000000  1.0
  Ga  Ga4  1  0.33300200  0.16650100  0.75000000  1.0
  Ga  Ga5  1  0.83349900  0.16650100  0.75000000  1.0
  Ag  Ag6  1  0.33333300  0.66666700  0.75000000  1.0
  Ag  Ag7  1  0.66666700  0.33333300  0.25000000  1.0
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