KSm
Traditional Materials TRAMP-ID: mp-1185056 · Space group: P-6m2 (#187)
Basic Information
Formula
KSm
MP-ID
mp-1185056
Elements
2
Sites
2
Density
3.7317
g/cm³
Volume
84.31
ų
Cell a
3.6844
Å
Cell b
3.6844
Å
Cell c
7.1735
Å
α Angle
90.01
°
β Angle
89.99
°
γ Angle
120.03
°
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 |
|---|---|---|---|
| 12.34 | 7.1734 | 100.0 | (0,0,0,1) |
| 24.82 | 3.5867 | 66.4 | (0,0,0,2) |
| 27.96 | 3.1913 | 23.9 | (1,-1,0,0) |
| 27.97 | 3.1898 | 23.9 | (1,0,-1,0) |
| 27.97 | 3.1898 | 23.9 | (0,1,-1,0) |
| 30.66 | 2.9159 | 31.9 | (1,-1,0,1) |
| 30.66 | 2.9157 | 31.9 | (1,-1,0,-1) |
| 30.67 | 2.9147 | 31.9 | (1,0,-1,1) |
| 30.67 | 2.9147 | 31.9 | (0,1,-1,-1) |
| 30.68 | 2.9146 | 31.9 | (1,0,-1,-1) |
| 30.68 | 2.9146 | 31.9 | (0,1,-1,1) |
| 37.62 | 2.3912 | 7.3 | (0,0,0,3) |
| 37.73 | 2.3843 | 10.9 | (1,-1,0,2) |
| 37.73 | 2.3841 | 10.9 | (1,-1,0,-2) |
| 37.74 | 2.3836 | 10.9 | (1,0,-1,2) |
| 37.74 | 2.3836 | 10.9 | (0,1,-1,-2) |
| 37.74 | 2.3835 | 10.9 | (1,0,-1,-2) |
| 37.74 | 2.3835 | 10.9 | (0,1,-1,2) |
| 47.51 | 1.9137 | 9.3 | (1,-1,0,3) |
| 47.52 | 1.9135 | 9.3 | (1,-1,0,-3) |
| 47.52 | 1.9133 | 9.3 | (1,0,-1,3) |
| 47.52 | 1.9133 | 9.3 | (0,1,-1,-3) |
| 47.52 | 1.9132 | 9.3 | (1,0,-1,-3) |
| 47.52 | 1.9132 | 9.3 | (0,1,-1,3) |
Energy Properties
Formation Energy/atom
0.46914
eV/atom
Energy/atom
-17.40646
eV/atom
Energy above Hull
0.4691
eV/atom
Uncorrected Energy
-2.4454
eV/atom
Volume/atom
42.15
ų
c/a Ratio
1.9470
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0018
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
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-1185056
Reference Citation
The crystal structure and related material properties of KSm were obtained from the Materials Project database (MP-ID: mp-1185056, 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_KSm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68442214
_cell_length_b 3.68440209
_cell_length_c 7.17344501
_cell_angle_alpha 90.00549873
_cell_angle_beta 89.99459320
_cell_angle_gamma 120.03078112
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSm
_chemical_formula_sum 'K1 Sm1'
_cell_volume 84.30629746
_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 0.66666900 0.33333500 0.74999900 1.0
Sm Sm1 1 0.33333100 0.66666700 0.25000100 1.0
