Basic Information
Formula
LiPt7
MP-ID
mp-30765
Elements
2
Sites
8
Density
19.2092
g/cm³
Volume
118.65
ų
Cell a
5.5156
Å
Cell b
5.5156
Å
Cell c
5.5156
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 |
|---|---|---|---|
| 19.71 | 4.5035 | 8.7 | (1,1,1) |
| 19.71 | 4.5035 | 17.5 | (0,1,0) |
| 19.71 | 4.5035 | 8.7 | (1,0,0) |
| 22.80 | 3.9001 | 6.2 | (1,0,1) |
| 22.80 | 3.9001 | 12.4 | (1,1,0) |
| 32.47 | 2.7578 | 2.6 | (1,1,2) |
| 32.47 | 2.7578 | 2.6 | (1,2,1) |
| 32.47 | 2.7578 | 5.1 | (0,1,-1) |
| 32.47 | 2.7578 | 2.6 | (1,-1,0) |
| 32.47 | 2.7578 | 2.6 | (1,0,-1) |
| 38.27 | 2.3519 | 5.0 | (2,1,2) |
| 38.27 | 2.3519 | 1.7 | (2,2,1) |
| 38.27 | 2.3519 | 5.0 | (1,2,0) |
| 38.27 | 2.3519 | 5.0 | (2,0,1) |
| 38.27 | 2.3519 | 1.7 | (2,1,0) |
| 38.27 | 2.3519 | 1.7 | (1,-1,-1) |
| 40.04 | 2.2517 | 76.4 | (2,2,2) |
| 40.04 | 2.2517 | 76.4 | (0,0,2) |
| 40.04 | 2.2517 | 76.4 | (0,2,0) |
| 40.04 | 2.2517 | 76.4 | (2,0,0) |
| 46.57 | 1.9501 | 50.0 | (2,0,2) |
| 46.57 | 1.9501 | 100.0 | (2,2,0) |
| 51.04 | 1.7895 | 1.5 | (1,1,3) |
| 51.04 | 1.7895 | 1.5 | (0,2,-1) |
Energy Properties
Formation Energy/atom
-0.30163
eV/atom
Energy/atom
-45.65172
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-45.6517
eV/atom
Volume/atom
14.83
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0021
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
KVRH
217.916
GPa
GVRH
77.090
GPa
Young's Modulus E
206.875
GPa
Poisson Ratio ν
0.342
Pugh Ratio K/G
2.827
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.241
Lame λ
166.523
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.698
Family
Binary Alloy
Matrix Element
Pt · 0.875
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30765
Reference Citation
The crystal structure and related material properties of LiPt7 were obtained from the Materials Project database (MP-ID: mp-30765, 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_LiPt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51558840
_cell_length_b 5.51559028
_cell_length_c 5.51559167
_cell_angle_alpha 59.99997230
_cell_angle_beta 59.99993468
_cell_angle_gamma 59.99995028
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiPt7
_chemical_formula_sum 'Li1 Pt7'
_cell_volume 118.64801804
_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 0.50000000 0.50000000 0.50000000 1.0
Pt Pt1 1 0.00000000 -0.00000000 0.00000000 1.0
Pt Pt2 1 0.50000000 -0.00000000 0.00000000 1.0
Pt Pt3 1 0.00000000 -0.00000000 0.50000000 1.0
Pt Pt4 1 0.50000000 0.50000000 -0.00000000 1.0
Pt Pt5 1 0.00000000 0.50000000 0.50000000 1.0
Pt Pt6 1 -0.00000000 0.50000000 0.00000000 1.0
Pt Pt7 1 0.50000000 0.00000000 0.50000000 1.0
