KPm
Traditional Materials TRAMP-ID: mp-1185049 · Space group: P-6m2 (#187)
Basic Information
Formula
KPm
MP-ID
mp-1185049
Elements
2
Sites
2
Density
3.5431
g/cm³
Volume
86.28
ų
Cell a
3.7101
Å
Cell b
3.7101
Å
Cell c
7.2389
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.01
°
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 |
|---|---|---|---|
| 12.23 | 7.2389 | 100.0 | (0,0,0,1) |
| 24.60 | 3.6194 | 68.0 | (0,0,0,2) |
| 27.76 | 3.2132 | 24.1 | (1,-1,0,0) |
| 27.77 | 3.2127 | 24.1 | (1,0,-1,0) |
| 27.77 | 3.2127 | 24.1 | (0,1,-1,0) |
| 30.44 | 2.9369 | 32.5 | (1,-1,0,-1) |
| 30.44 | 2.9369 | 32.5 | (1,-1,0,1) |
| 30.44 | 2.9365 | 32.5 | (1,0,-1,1) |
| 30.44 | 2.9365 | 32.5 | (1,0,-1,-1) |
| 30.44 | 2.9365 | 32.5 | (0,1,-1,1) |
| 30.44 | 2.9365 | 32.5 | (0,1,-1,-1) |
| 37.26 | 2.4130 | 7.3 | (0,0,0,3) |
| 37.43 | 2.4029 | 11.0 | (1,-1,0,-2) |
| 37.43 | 2.4029 | 11.0 | (1,-1,0,2) |
| 37.43 | 2.4027 | 11.0 | (1,0,-1,2) |
| 37.43 | 2.4027 | 11.0 | (1,0,-1,-2) |
| 37.43 | 2.4027 | 11.0 | (0,1,-1,2) |
| 37.43 | 2.4027 | 11.0 | (0,1,-1,-2) |
| 47.10 | 1.9295 | 9.5 | (1,-1,0,-3) |
| 47.10 | 1.9295 | 9.5 | (1,-1,0,3) |
| 47.10 | 1.9294 | 9.5 | (1,0,-1,3) |
| 47.10 | 1.9294 | 9.5 | (1,0,-1,-3) |
| 47.10 | 1.9294 | 9.5 | (0,1,-1,3) |
| 47.10 | 1.9294 | 9.5 | (0,1,-1,-3) |
Energy Properties
Formation Energy/atom
0.45630
eV/atom
Energy/atom
-17.32314
eV/atom
Energy above Hull
0.4563
eV/atom
Uncorrected Energy
-2.4742
eV/atom
Volume/atom
43.14
ų
c/a Ratio
1.9512
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0034
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
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
0.344
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-1185049
Reference Citation
The crystal structure and related material properties of KPm were obtained from the Materials Project database (MP-ID: mp-1185049, 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_KPm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71006002
_cell_length_b 3.71004735
_cell_length_c 7.23888200
_cell_angle_alpha 89.99997085
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.01055531
_symmetry_Int_Tables_number 1
_chemical_formula_structural KPm
_chemical_formula_sum 'K1 Pm1'
_cell_volume 86.28122734
_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 0.66667100 0.33333200 0.75000100 1.0
Pm Pm1 1 0.33333000 0.66666800 0.25000000 1.0
