KTm
Traditional Materials TRAMP-ID: mp-974062 · Space group: P-6m2 (#187)
Basic Information
Formula
KTm
MP-ID
mp-974062
Elements
2
Sites
2
Density
4.3040
g/cm³
Volume
80.26
ų
Cell a
3.5966
Å
Cell b
3.5966
Å
Cell c
7.1645
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
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 |
|---|---|---|---|
| 12.35 | 7.1645 | 61.3 | (0,0,0,1) |
| 24.86 | 3.5823 | 35.9 | (0,0,0,2) |
| 28.66 | 3.1148 | 39.1 | (1,0,-1,0) |
| 31.31 | 2.8565 | 100.0 | (1,0,-1,1) |
| 37.67 | 2.3882 | 4.5 | (0,0,0,3) |
| 38.29 | 2.3505 | 36.6 | (1,0,-1,2) |
| 48.00 | 1.8952 | 30.2 | (1,0,-1,3) |
| 50.77 | 1.7983 | 10.0 | (2,-1,-1,0) |
| 50.77 | 1.7983 | 5.0 | (1,1,-2,0) |
| 50.99 | 1.7911 | 4.9 | (0,0,0,4) |
| 52.46 | 1.7442 | 7.3 | (2,-1,-1,1) |
| 52.46 | 1.7442 | 3.7 | (1,1,-2,1) |
| 57.33 | 1.6072 | 20.7 | (2,-1,-1,2) |
| 59.34 | 1.5574 | 1.7 | (2,-2,0,0) |
| 59.34 | 1.5574 | 3.5 | (2,0,-2,0) |
| 59.54 | 1.5527 | 10.3 | (1,0,-1,4) |
| 60.87 | 1.5219 | 14.7 | (2,0,-2,1) |
| 64.91 | 1.4366 | 5.9 | (2,-1,-1,3) |
| 65.34 | 1.4283 | 2.6 | (2,-2,0,2) |
| 65.34 | 1.4283 | 5.2 | (2,0,-2,2) |
| 72.45 | 1.3045 | 8.7 | (2,0,-2,3) |
| 72.63 | 1.3018 | 8.7 | (1,0,-1,5) |
| 74.81 | 1.2691 | 6.2 | (2,-1,-1,4) |
| 74.81 | 1.2691 | 3.1 | (1,1,-2,4) |
Energy Properties
Formation Energy/atom
0.55062
eV/atom
Energy/atom
-20.01903
eV/atom
Energy above Hull
0.5506
eV/atom
Uncorrected Energy
-2.2425
eV/atom
Volume/atom
40.13
ų
c/a Ratio
1.9920
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-974062
Reference Citation
The crystal structure and related material properties of KTm were obtained from the Materials Project database (MP-ID: mp-974062, 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_KTm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59662645
_cell_length_b 3.59662645
_cell_length_c 7.16453900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000822
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTm
_chemical_formula_sum 'K1 Tm1'
_cell_volume 80.26191429
_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 0.66666700 0.33333300 0.50000000 1.0
Tm Tm1 1 0.33333300 0.66666700 0.00000000 1.0
