K
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1184755 · Space group: P6_3/mmc (#194)
Basic Information
Formula
K
MP-ID
mp-1184755
Elements
1
Sites
2
Density
0.8443
g/cm³
Volume
153.79
ų
Cell a
4.7624
Å
Cell b
4.7624
Å
Cell c
7.8300
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 21.55 | 4.1244 | 11.5 | (1,0,-1,0) |
| 21.55 | 4.1244 | 22.9 | (1,-1,0,0) |
| 22.71 | 3.9150 | 40.1 | (0,0,0,2) |
| 24.39 | 3.6491 | 50.0 | (1,0,-1,1) |
| 24.39 | 3.6491 | 100.0 | (1,-1,0,1) |
| 31.51 | 2.8395 | 8.2 | (1,0,-1,2) |
| 31.51 | 2.8395 | 16.5 | (1,-1,0,2) |
| 37.78 | 2.3812 | 19.0 | (2,-1,-1,0) |
| 37.78 | 2.3812 | 9.5 | (1,-2,1,0) |
| 40.92 | 2.2055 | 33.3 | (1,0,-1,3) |
| 43.91 | 2.0622 | 1.5 | (2,0,-2,0) |
| 43.91 | 2.0622 | 2.9 | (2,-2,0,0) |
| 44.54 | 2.0344 | 22.5 | (2,-1,-1,2) |
| 44.54 | 2.0344 | 11.2 | (1,-2,1,2) |
| 45.48 | 1.9942 | 7.9 | (2,0,-2,1) |
| 45.48 | 1.9942 | 15.7 | (2,-2,0,1) |
| 46.39 | 1.9575 | 4.9 | (0,0,0,4) |
| 49.99 | 1.8245 | 1.9 | (2,0,-2,2) |
| 49.99 | 1.8245 | 3.8 | (2,-2,0,2) |
| 51.69 | 1.7684 | 5.1 | (1,0,-1,4) |
| 56.91 | 1.6181 | 3.7 | (2,0,-2,3) |
| 56.91 | 1.6181 | 7.4 | (2,-2,0,3) |
| 59.28 | 1.5589 | 1.1 | (3,-1,-2,0) |
| 59.28 | 1.5589 | 1.1 | (3,-2,-1,0) |
Energy Properties
Formation Energy/atom
0.00870
eV/atom
Energy/atom
-6.00957
eV/atom
Energy above Hull
0.0087
eV/atom
Uncorrected Energy
-6.0096
eV/atom
Volume/atom
76.90
ų
c/a Ratio
1.6441
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
3.576
GPa
GVRH
1.623
GPa
Young's Modulus E
4.229
GPa
Poisson Ratio ν
0.303
Pugh Ratio K/G
2.203
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.618
Lame λ
2.494
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.567
Family
Pure Metal
Matrix Element
K · 1.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6180
Homogeneous Poisson ν
0.3030
Homogeneity
0.3030
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184755
Reference Citation
The crystal structure and related material properties of K were obtained from the Materials Project database (MP-ID: mp-1184755, 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_K
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76239653
_cell_length_b 4.76239551
_cell_length_c 7.82997132
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999206
_symmetry_Int_Tables_number 1
_chemical_formula_structural K
_chemical_formula_sum K2
_cell_volume 153.79487059
_cell_formula_units_Z 2
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 0.33333300 0.66666600 0.25000000 1.0
K K1 1 0.66666600 0.33333300 0.75000000 1.0
