Ga3Pt
Traditional Materials TRAMP-ID: mp-1184308 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ga3Pt
MP-ID
mp-1184308
Elements
2
Sites
8
Density
9.8100
g/cm³
Volume
136.86
ų
Cell a
5.9117
Å
Cell b
5.9117
Å
Cell c
4.5218
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.32 | 5.1197 | 13.7 | (1,0,-1,0) |
| 26.30 | 3.3892 | 23.4 | (1,0,-1,1) |
| 30.24 | 2.9558 | 11.9 | (2,-1,-1,0) |
| 35.05 | 2.5598 | 24.8 | (2,0,-2,0) |
| 39.87 | 2.2609 | 23.3 | (0,0,0,2) |
| 40.49 | 2.2277 | 100.0 | (2,0,-2,1) |
| 43.77 | 2.0682 | 2.7 | (1,0,-1,2) |
| 46.96 | 1.9351 | 1.2 | (3,-1,-2,0) |
| 50.85 | 1.7958 | 5.9 | (2,-1,-1,2) |
| 51.36 | 1.7790 | 9.8 | (3,-1,-2,1) |
| 53.71 | 1.7066 | 2.5 | (3,0,-3,0) |
| 54.12 | 1.6946 | 14.2 | (2,0,-2,2) |
| 62.88 | 1.4779 | 17.9 | (4,-2,-2,0) |
| 63.25 | 1.4701 | 1.0 | (3,-1,-2,2) |
| 64.44 | 1.4459 | 2.1 | (1,0,-1,3) |
| 68.94 | 1.3621 | 2.4 | (3,0,-3,2) |
| 69.37 | 1.3547 | 3.5 | (4,-1,-3,1) |
| 72.82 | 1.2988 | 17.4 | (2,0,-2,3) |
| 74.07 | 1.2799 | 2.7 | (4,0,-4,0) |
| 77.10 | 1.2371 | 19.6 | (4,-2,-2,2) |
| 77.51 | 1.2315 | 14.5 | (4,0,-4,1) |
| 79.75 | 1.2025 | 1.0 | (4,-1,-3,2) |
| 80.83 | 1.1891 | 2.8 | (3,-1,-2,3) |
| 85.40 | 1.1368 | 1.7 | (5,-2,-3,1) |
Energy Properties
Formation Energy/atom
-0.14879
eV/atom
Energy/atom
-3.93764
eV/atom
Energy above Hull
0.3022
eV/atom
Uncorrected Energy
-3.9376
eV/atom
Volume/atom
17.11
ų
c/a Ratio
0.7649
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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
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
0.521
Family
Binary Alloy
Matrix Element
Ga · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184308
Reference Citation
The crystal structure and related material properties of Ga3Pt were obtained from the Materials Project database (MP-ID: mp-1184308, 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_Ga3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91168801
_cell_length_b 5.91168801
_cell_length_c 4.52180100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000012
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga3Pt
_chemical_formula_sum 'Ga6 Pt2'
_cell_volume 136.85639283
_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 0.17053500 0.34107000 0.25000000 1.0
Ga Ga1 1 0.65893000 0.82946500 0.25000000 1.0
Ga Ga2 1 0.17053500 0.82946500 0.25000000 1.0
Ga Ga3 1 0.82946500 0.65893000 0.75000000 1.0
Ga Ga4 1 0.34107000 0.17053500 0.75000000 1.0
Ga Ga5 1 0.82946500 0.17053500 0.75000000 1.0
Pt Pt6 1 0.33333300 0.66666700 0.75000000 1.0
Pt Pt7 1 0.66666700 0.33333300 0.25000000 1.0
