KCo
Traditional Materials TRAMP-ID: mp-1079231 · Space group: Pnma (#62)
Basic Information
Formula
KCo
MP-ID
mp-1079231
Elements
2
Sites
8
Density
2.8105
g/cm³
Volume
231.68
ų
Cell a
3.6998
Å
Cell b
10.9492
Å
Cell c
5.7192
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 16.19 | 5.4746 | 28.6 | (0,2,0) |
| 17.49 | 5.0693 | 48.9 | (0,1,1) |
| 25.41 | 3.5051 | 2.8 | (1,1,0) |
| 29.02 | 3.0767 | 60.7 | (0,3,1) |
| 31.28 | 2.8596 | 51.4 | (0,0,2) |
| 32.72 | 2.7373 | 1.6 | (0,4,0) |
| 33.16 | 2.7018 | 100.0 | (1,2,1) |
| 34.52 | 2.5983 | 13.3 | (1,3,0) |
| 35.41 | 2.5347 | 8.2 | (0,2,2) |
| 40.72 | 2.2158 | 1.2 | (1,1,2) |
| 44.09 | 2.0537 | 9.4 | (1,4,1) |
| 45.89 | 1.9774 | 1.1 | (0,4,2) |
| 47.27 | 1.9230 | 10.6 | (1,3,2) |
| 48.30 | 1.8845 | 27.4 | (1,5,0) |
| 48.47 | 1.8782 | 3.5 | (0,1,3) |
| 49.26 | 1.8499 | 13.0 | (2,0,0) |
| 52.19 | 1.7525 | 2.6 | (2,2,0) |
| 52.67 | 1.7378 | 5.4 | (2,1,1) |
| 54.29 | 1.6898 | 8.9 | (0,3,3) |
| 56.88 | 1.6189 | 18.3 | (1,2,3) |
| 58.19 | 1.5854 | 14.2 | (2,3,1) |
| 58.67 | 1.5735 | 28.8 | (1,5,2) |
| 58.68 | 1.5735 | 3.5 | (1,6,1) |
| 59.52 | 1.5532 | 13.9 | (2,0,2) |
Energy Properties
Formation Energy/atom
0.81629
eV/atom
Energy/atom
-8.80996
eV/atom
Energy above Hull
0.8163
eV/atom
Uncorrected Energy
-3.2931
eV/atom
Volume/atom
28.96
ų
c/a Ratio
1.5458
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.8371
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.029510
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
0.424
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-1079231
Reference Citation
The crystal structure and related material properties of KCo were obtained from the Materials Project database (MP-ID: mp-1079231, 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_KCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69978200
_cell_length_b 10.94919300
_cell_length_c 5.71923800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCo
_chemical_formula_sum 'K4 Co4'
_cell_volume 231.68419911
_cell_formula_units_Z 4
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 0.25000000 0.40219400 0.50617100 1.0
K K1 1 0.75000000 0.09780600 0.49382900 1.0
K K2 1 0.75000000 0.90219400 0.99382900 1.0
K K3 1 0.25000000 0.59780600 0.00617100 1.0
Co Co4 1 0.25000000 0.80473500 0.49886900 1.0
Co Co5 1 0.75000000 0.69526500 0.50113100 1.0
Co Co6 1 0.75000000 0.30473500 0.00113100 1.0
Co Co7 1 0.25000000 0.19526500 0.99886900 1.0
