K2Re
Traditional Materials TRAMP-ID: mp-1080778 · Space group: P-62m (#189)
Basic Information
Formula
K2Re
MP-ID
mp-1080778
Elements
2
Sites
9
Density
3.4749
g/cm³
Volume
379.05
ų
Cell a
9.4691
Å
Cell b
9.4691
Å
Cell c
4.8815
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
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 |
|---|---|---|---|
| 18.17 | 4.8815 | 6.0 | (0,0,0,1) |
| 18.74 | 4.7345 | 100.0 | (2,-1,-1,0) |
| 21.18 | 4.1946 | 66.4 | (1,0,-1,1) |
| 26.22 | 3.3986 | 29.4 | (2,-1,-1,1) |
| 28.43 | 3.1396 | 86.3 | (2,0,-2,1) |
| 28.80 | 3.0995 | 7.4 | (3,-1,-2,0) |
| 32.76 | 2.7335 | 53.9 | (3,0,-3,0) |
| 34.27 | 2.6166 | 69.0 | (3,-1,-2,1) |
| 36.82 | 2.4408 | 19.3 | (0,0,0,2) |
| 37.72 | 2.3850 | 6.0 | (3,0,-3,1) |
| 38.01 | 2.3673 | 23.0 | (4,-2,-2,0) |
| 39.63 | 2.2744 | 1.5 | (4,-1,-3,0) |
| 41.63 | 2.1694 | 27.8 | (2,-1,-1,2) |
| 42.44 | 2.1300 | 2.6 | (4,-2,-2,1) |
| 43.92 | 2.0616 | 18.5 | (4,-1,-3,1) |
| 47.41 | 1.9176 | 3.2 | (3,-1,-2,2) |
| 48.14 | 1.8902 | 5.2 | (4,0,-4,1) |
| 50.10 | 1.8206 | 32.4 | (3,0,-3,2) |
| 51.04 | 1.7895 | 23.0 | (5,-1,-4,0) |
| 52.10 | 1.7555 | 10.3 | (3,2,-5,1) |
| 52.10 | 1.7555 | 20.5 | (5,-2,-3,1) |
| 53.96 | 1.6993 | 17.1 | (4,-2,-2,2) |
| 54.62 | 1.6802 | 6.4 | (5,-1,-4,1) |
| 57.77 | 1.5961 | 4.9 | (1,0,-1,3) |
Energy Properties
Formation Energy/atom
1.99292
eV/atom
Energy/atom
-19.48947
eV/atom
Energy above Hull
1.9929
eV/atom
Uncorrected Energy
-2.8955
eV/atom
Volume/atom
42.12
ų
c/a Ratio
0.5155
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
10.2977
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.027170
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.503
Family
Binary Alloy
Matrix Element
K · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1080778
Reference Citation
The crystal structure and related material properties of K2Re were obtained from the Materials Project database (MP-ID: mp-1080778, 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_K2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.46904790
_cell_length_b 9.46904790
_cell_length_c 4.88149500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999929
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2Re
_chemical_formula_sum 'K6 Re3'
_cell_volume 379.04965910
_cell_formula_units_Z 3
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 0.41065900 0.41065900 0.00000000 1.0
K K1 1 0.58934100 0.00000000 0.00000000 1.0
K K2 1 0.00000000 0.58934100 0.00000000 1.0
K K3 1 0.74258000 0.74258000 0.50000000 1.0
K K4 1 0.25742000 0.00000000 0.50000000 1.0
K K5 1 0.00000000 0.25742000 0.50000000 1.0
Re Re6 1 0.00000000 0.00000000 0.00000000 1.0
Re Re7 1 0.66666700 0.33333300 0.50000000 1.0
Re Re8 1 0.33333300 0.66666700 0.50000000 1.0
