KPt
Traditional Materials TRAMP-ID: mp-1185153 · Space group: P-6m2 (#187)
Basic Information
Formula
KPt
MP-ID
mp-1185153
Elements
2
Sites
2
Density
9.3277
g/cm³
Volume
41.69
ų
Cell a
3.0008
Å
Cell b
3.0009
Å
Cell c
5.3456
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
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 |
|---|---|---|---|
| 16.58 | 5.3456 | 100.0 | (0,0,0,1) |
| 33.53 | 2.6728 | 45.1 | (0,0,0,2) |
| 34.51 | 2.5990 | 23.6 | (0,1,-1,0) |
| 34.51 | 2.5989 | 23.6 | (1,0,-1,0) |
| 34.51 | 2.5988 | 23.6 | (1,-1,0,0) |
| 38.52 | 2.3374 | 52.8 | (0,1,-1,1) |
| 38.52 | 2.3373 | 26.4 | (1,0,-1,1) |
| 38.52 | 2.3373 | 26.4 | (1,0,-1,-1) |
| 38.52 | 2.3372 | 52.8 | (1,-1,0,1) |
| 48.88 | 1.8633 | 18.2 | (0,1,-1,2) |
| 48.88 | 1.8633 | 9.1 | (1,0,-1,2) |
| 48.88 | 1.8633 | 9.1 | (1,0,-1,-2) |
| 48.88 | 1.8632 | 9.1 | (1,-1,0,2) |
| 48.88 | 1.8632 | 9.1 | (1,-1,0,-2) |
| 51.27 | 1.7819 | 6.1 | (0,0,0,3) |
| 61.83 | 1.5005 | 7.6 | (1,1,-2,0) |
| 61.83 | 1.5005 | 7.6 | (1,-2,1,0) |
| 61.84 | 1.5004 | 7.6 | (2,-1,-1,0) |
| 63.28 | 1.4696 | 12.3 | (0,1,-1,3) |
| 63.28 | 1.4696 | 6.1 | (1,0,-1,3) |
| 63.28 | 1.4696 | 6.1 | (1,0,-1,-3) |
| 63.28 | 1.4696 | 6.1 | (1,-1,0,3) |
| 63.28 | 1.4696 | 6.1 | (1,-1,0,-3) |
| 64.50 | 1.4447 | 6.3 | (1,1,-2,1) |
Energy Properties
Formation Energy/atom
0.25032
eV/atom
Energy/atom
-28.50267
eV/atom
Energy above Hull
0.2735
eV/atom
Uncorrected Energy
-3.3173
eV/atom
Volume/atom
20.84
ų
c/a Ratio
1.7814
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0011
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.442
Family
Binary Alloy
Matrix Element
K · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1185153
Reference Citation
The crystal structure and related material properties of KPt were obtained from the Materials Project database (MP-ID: mp-1185153, 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_KPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00076700
_cell_length_b 3.00092756
_cell_length_c 5.34557800
_cell_angle_alpha 90.00000536
_cell_angle_beta 89.99998928
_cell_angle_gamma 119.99599032
_symmetry_Int_Tables_number 1
_chemical_formula_structural KPt
_chemical_formula_sum 'K1 Pt1'
_cell_volume 41.68987907
_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
K K0 1 0.66667300 0.33331100 0.74999900 1.0
Pt Pt1 1 0.33332700 0.66668700 0.25000100 1.0
