Basic Information
Formula
LiPt
MP-ID
mp-11807
Elements
2
Sites
2
Density
12.3155
g/cm³
Volume
27.24
ų
Cell a
2.7463
Å
Cell b
2.7463
Å
Cell c
4.1705
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 21.31 | 4.1705 | 100.0 | (0,0,0,1) |
| 37.83 | 2.3784 | 24.2 | (1,-1,0,0) |
| 37.83 | 2.3783 | 24.2 | (0,1,-1,0) |
| 37.83 | 2.3783 | 24.2 | (1,0,-1,0) |
| 43.39 | 2.0852 | 17.9 | (0,0,0,2) |
| 43.82 | 2.0660 | 34.0 | (1,-1,0,1) |
| 43.82 | 2.0660 | 67.9 | (1,0,-1,1) |
| 58.90 | 1.5679 | 13.6 | (1,-1,0,2) |
| 58.90 | 1.5679 | 13.6 | (0,1,-1,2) |
| 58.90 | 1.5679 | 13.6 | (1,0,-1,2) |
| 67.36 | 1.3902 | 4.4 | (0,0,0,3) |
| 68.31 | 1.3731 | 4.7 | (1,-2,1,0) |
| 68.31 | 1.3731 | 4.7 | (2,-1,-1,0) |
| 68.31 | 1.3731 | 4.7 | (1,1,-2,0) |
| 72.47 | 1.3043 | 14.4 | (2,-1,-1,1) |
| 72.47 | 1.3043 | 7.2 | (1,1,-2,1) |
| 79.93 | 1.2002 | 6.0 | (1,-1,0,3) |
| 79.93 | 1.2002 | 6.0 | (0,1,-1,3) |
| 79.93 | 1.2002 | 6.0 | (1,0,-1,3) |
| 80.82 | 1.1892 | 2.8 | (2,-2,0,0) |
| 80.82 | 1.1892 | 2.8 | (0,2,-2,0) |
| 80.82 | 1.1892 | 2.8 | (2,0,-2,0) |
| 84.48 | 1.1468 | 5.4 | (1,-2,1,2) |
| 84.48 | 1.1468 | 5.4 | (2,-1,-1,2) |
Energy Properties
Formation Energy/atom
-0.65490
eV/atom
Energy/atom
-27.59211
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.5921
eV/atom
Volume/atom
13.62
ų
c/a Ratio
1.5186
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
KVRH
113.442
GPa
GVRH
51.982
GPa
Young's Modulus E
135.283
GPa
Poisson Ratio ν
0.301
Pugh Ratio K/G
2.182
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
2.043
Lame λ
78.787
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Li · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Li · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11807
Reference Citation
The crystal structure and related material properties of LiPt were obtained from the Materials Project database (MP-ID: mp-11807, 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_LiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74627658
_cell_length_b 2.74627672
_cell_length_c 4.17046502
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00003561
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiPt
_chemical_formula_sum 'Li1 Pt1'
_cell_volume 27.23977570
_cell_formula_units_Z 1
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
Li Li0 1 0.33333300 0.66666700 0.50000000 1.0
Pt Pt1 1 -0.00000000 -0.00000000 0.00000000 1.0
