K
Traditional Materials TRAMP-ID: mp-972981 · Space group: Cmcm (#63)
Basic Information
Formula
K
MP-ID
mp-972981
Elements
1
Sites
2
Density
0.8422
g/cm³
Volume
154.17
ų
Cell a
4.7251
Å
Cell b
4.7251
Å
Cell c
7.8118
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
117.88
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 21.27 | 4.1768 | 15.6 | (1,0,-1,0) |
| 21.96 | 4.0476 | 15.6 | (1,-1,0,0) |
| 22.77 | 3.9059 | 35.7 | (0,0,0,2) |
| 24.16 | 3.6833 | 100.0 | (1,0,-1,1) |
| 24.77 | 3.5938 | 34.5 | (1,-1,0,1) |
| 31.36 | 2.8529 | 11.0 | (1,0,-1,2) |
| 31.84 | 2.8107 | 11.4 | (1,-1,0,2) |
| 36.87 | 2.4380 | 9.2 | (1,1,-2,0) |
| 38.12 | 2.3610 | 15.7 | (2,-1,-1,0) |
| 39.89 | 2.2600 | 1.6 | (2,-1,-1,1) |
| 40.84 | 2.2097 | 21.8 | (1,0,-1,3) |
| 41.22 | 2.1899 | 7.8 | (1,-1,0,3) |
| 43.33 | 2.0884 | 4.4 | (2,0,-2,0) |
| 43.77 | 2.0682 | 10.7 | (1,1,-2,2) |
| 44.86 | 2.0205 | 18.6 | (2,-1,-1,2) |
| 44.93 | 2.0175 | 11.8 | (2,0,-2,1) |
| 46.35 | 1.9591 | 8.5 | (2,-2,0,1) |
| 46.50 | 1.9530 | 4.4 | (0,0,0,4) |
| 49.49 | 1.8417 | 5.7 | (2,0,-2,2) |
| 51.67 | 1.7691 | 2.3 | (1,0,-1,4) |
| 51.99 | 1.7589 | 2.4 | (1,-1,0,4) |
| 56.48 | 1.6292 | 5.5 | (2,0,-2,3) |
| 57.69 | 1.5979 | 4.1 | (2,-2,0,3) |
| 59.17 | 1.5614 | 6.4 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
0.00667
eV/atom
Energy/atom
-6.01159
eV/atom
Energy above Hull
0.0067
eV/atom
Uncorrected Energy
-6.0116
eV/atom
Volume/atom
77.09
ų
c/a Ratio
1.6533
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
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
0.568
Family
Pure Metal
Matrix Element
K · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-972981
Reference Citation
The crystal structure and related material properties of K were obtained from the Materials Project database (MP-ID: mp-972981, 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 4.72512548
_cell_length_b 4.72512548
_cell_length_c 7.81179801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.87709045
_symmetry_Int_Tables_number 1
_chemical_formula_structural K
_chemical_formula_sum K2
_cell_volume 154.17242508
_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 0.82061302 0.17938698 0.25000000 1.0
K K1 1 0.17938698 0.82061302 0.75000000 1.0
