Ge3Pt
Traditional Materials TRAMP-ID: mp-1184728 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ge3Pt
MP-ID
mp-1184728
Elements
2
Sites
8
Density
8.8519
g/cm³
Volume
154.95
ų
Cell a
6.7883
Å
Cell b
6.7883
Å
Cell c
3.8828
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 |
|---|---|---|---|
| 15.07 | 5.8788 | 9.2 | (1,-1,0,0) |
| 15.07 | 5.8788 | 18.3 | (1,0,-1,0) |
| 26.26 | 3.3941 | 16.1 | (2,-1,-1,0) |
| 27.53 | 3.2399 | 13.5 | (1,0,-1,1) |
| 30.41 | 2.9394 | 31.4 | (2,0,-2,0) |
| 38.41 | 2.3436 | 100.0 | (2,0,-2,1) |
| 46.33 | 1.9596 | 2.9 | (3,0,-3,0) |
| 46.79 | 1.9414 | 13.3 | (0,0,0,2) |
| 47.12 | 1.9285 | 10.7 | (3,-1,-2,1) |
| 47.12 | 1.9285 | 5.4 | (2,1,-3,1) |
| 49.44 | 1.8435 | 2.8 | (1,0,-1,2) |
| 52.29 | 1.7494 | 2.5 | (3,0,-3,1) |
| 54.04 | 1.6971 | 15.1 | (4,-2,-2,0) |
| 54.04 | 1.6971 | 7.6 | (2,2,-4,0) |
| 54.45 | 1.6852 | 4.6 | (2,-1,-1,2) |
| 56.43 | 1.6305 | 2.4 | (4,-1,-3,0) |
| 56.83 | 1.6200 | 10.7 | (2,0,-2,2) |
| 61.70 | 1.5033 | 1.7 | (4,-3,-1,1) |
| 61.70 | 1.5033 | 3.3 | (4,-1,-3,1) |
| 63.27 | 1.4697 | 3.2 | (4,0,-4,0) |
| 67.97 | 1.3792 | 1.9 | (3,0,-3,2) |
| 68.23 | 1.3745 | 5.4 | (4,-4,0,1) |
| 68.23 | 1.3745 | 10.9 | (4,0,-4,1) |
| 69.72 | 1.3487 | 3.2 | (5,-2,-3,0) |
Energy Properties
Formation Energy/atom
0.06236
eV/atom
Energy/atom
-23.21355
eV/atom
Energy above Hull
0.3258
eV/atom
Uncorrected Energy
-4.9170
eV/atom
Volume/atom
19.37
ų
c/a Ratio
0.5720
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0020
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
0.521
Family
Binary Alloy
Matrix Element
Ge · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184728
Reference Citation
The crystal structure and related material properties of Ge3Pt were obtained from the Materials Project database (MP-ID: mp-1184728, 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_Ge3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78828229
_cell_length_b 6.78828229
_cell_length_c 3.88282700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000287
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge3Pt
_chemical_formula_sum 'Ge6 Pt2'
_cell_volume 154.95245052
_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
Ge Ge0 1 0.18275700 0.36551400 0.25000000 1.0
Ge Ge1 1 0.63448600 0.81724300 0.25000000 1.0
Ge Ge2 1 0.18275700 0.81724300 0.25000000 1.0
Ge Ge3 1 0.81724300 0.63448600 0.75000000 1.0
Ge Ge4 1 0.36551400 0.18275700 0.75000000 1.0
Ge Ge5 1 0.81724300 0.18275700 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
