MgPt2
Traditional Materials TRAMP-ID: mp-1185948 · Space group: P-62m (#189)
Basic Information
Formula
MgPt2
MP-ID
mp-1185948
Elements
2
Sites
6
Density
14.8666
g/cm³
Volume
92.59
ų
Cell a
4.8588
Å
Cell b
4.8588
Å
Cell c
4.5287
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
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 |
|---|---|---|---|
| 19.60 | 4.5287 | 35.9 | (0,0,0,1) |
| 21.11 | 4.2079 | 22.4 | (1,0,-1,0) |
| 28.97 | 3.0826 | 21.4 | (1,0,-1,1) |
| 37.00 | 2.4294 | 33.9 | (2,-1,-1,0) |
| 37.00 | 2.4294 | 17.0 | (1,1,-2,0) |
| 39.81 | 2.2643 | 37.2 | (0,0,0,2) |
| 42.21 | 2.1408 | 100.0 | (2,-1,-1,1) |
| 42.21 | 2.1408 | 50.0 | (1,1,-2,1) |
| 42.99 | 2.1039 | 1.3 | (2,-2,0,0) |
| 42.99 | 2.1039 | 2.5 | (2,0,-2,0) |
| 45.49 | 1.9940 | 6.3 | (1,0,-1,2) |
| 47.66 | 1.9081 | 1.8 | (2,-2,0,1) |
| 47.66 | 1.9081 | 3.6 | (2,0,-2,1) |
| 55.47 | 1.6564 | 32.2 | (2,-1,-1,2) |
| 57.99 | 1.5904 | 2.1 | (3,-1,-2,0) |
| 57.99 | 1.5904 | 1.1 | (2,1,-3,0) |
| 60.02 | 1.5413 | 2.9 | (2,0,-2,2) |
| 61.42 | 1.5096 | 1.8 | (0,0,0,3) |
| 61.83 | 1.5006 | 3.5 | (3,-1,-2,1) |
| 61.83 | 1.5006 | 1.7 | (2,1,-3,1) |
| 65.72 | 1.4209 | 2.2 | (1,0,-1,3) |
| 66.68 | 1.4026 | 8.3 | (3,-3,0,0) |
| 66.68 | 1.4026 | 16.5 | (3,0,-3,0) |
| 70.25 | 1.3398 | 2.4 | (3,-3,0,1) |
Energy Properties
Formation Energy/atom
-0.57302
eV/atom
Energy/atom
-5.16393
eV/atom
Energy above Hull
0.0393
eV/atom
Uncorrected Energy
-36.3415
eV/atom
Volume/atom
15.43
ų
c/a Ratio
0.9321
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
Pt · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.676
Family
Binary Alloy
Matrix Element
Pt · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1185948
Reference Citation
The crystal structure and related material properties of MgPt2 were obtained from the Materials Project database (MP-ID: mp-1185948, 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_MgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85882136
_cell_length_b 4.85882136
_cell_length_c 4.52867036
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001585
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgPt2
_chemical_formula_sum 'Mg2 Pt4'
_cell_volume 92.58979806
_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
Mg Mg0 1 0.33333300 0.66666700 0.50000000 1.0
Mg Mg1 1 0.66666700 0.33333300 0.50000000 1.0
Pt Pt2 1 -0.00000000 -0.00000000 0.50000000 1.0
Pt Pt3 1 -0.00000000 0.33381670 -0.00000000 1.0
Pt Pt4 1 0.33381670 -0.00000000 -0.00000000 1.0
Pt Pt5 1 0.66618330 0.66618330 0.00000000 1.0
