K3Rh
Traditional Materials TRAMP-ID: mp-1066655 · Space group: C2/m (#12)
Basic Information
Formula
K3Rh
MP-ID
mp-1066655
Elements
2
Sites
4
Density
2.0629
g/cm³
Volume
177.25
ų
Cell a
5.6596
Å
Cell b
5.6596
Å
Cell c
6.3198
Å
α Angle
87.26
°
β Angle
87.26
°
γ Angle
61.28
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 14.04 | 6.3100 | 100.0 | (0,0,0,1) |
| 17.88 | 4.9613 | 77.2 | (1,0,-1,0) |
| 18.25 | 4.8620 | 41.9 | (1,1,-2,0) |
| 22.48 | 3.9549 | 25.8 | (1,0,-1,1) |
| 23.12 | 3.8476 | 1.1 | (1,0,-1,-1) |
| 23.71 | 3.7520 | 13.6 | (1,1,-2,-1) |
| 28.29 | 3.1550 | 28.3 | (0,0,0,2) |
| 31.01 | 2.8843 | 47.9 | (1,-1,0,0) |
| 31.66 | 2.8258 | 90.1 | (2,1,-3,0) |
| 32.98 | 2.7163 | 3.8 | (1,1,-2,2) |
| 33.22 | 2.6971 | 67.6 | (1,0,-1,2) |
| 34.11 | 2.6288 | 7.6 | (1,0,-1,-2) |
| 34.13 | 2.6268 | 23.9 | (2,1,-3,1) |
| 34.18 | 2.6233 | 22.1 | (1,-1,0,1) |
| 34.74 | 2.5820 | 30.9 | (1,1,-2,-2) |
| 35.43 | 2.5337 | 18.3 | (2,1,-3,-1) |
| 36.21 | 2.4807 | 14.5 | (2,0,-2,0) |
| 36.98 | 2.4310 | 5.3 | (2,2,-4,0) |
| 38.96 | 2.3119 | 2.6 | (2,2,-4,1) |
| 39.40 | 2.2867 | 7.2 | (2,0,-2,-1) |
| 41.87 | 2.1574 | 20.4 | (2,1,-3,2) |
| 42.46 | 2.1288 | 17.8 | (1,-1,0,2) |
| 44.04 | 2.0561 | 14.5 | (2,1,-3,-2) |
| 45.84 | 1.9795 | 12.3 | (2,2,-4,2) |
Energy Properties
Formation Energy/atom
0.54084
eV/atom
Energy/atom
-10.00692
eV/atom
Energy above Hull
0.5408
eV/atom
Uncorrected Energy
-2.1330
eV/atom
Volume/atom
44.31
ų
c/a Ratio
1.1166
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0129
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.521
Family
Binary Alloy
Matrix Element
K · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1066655
Reference Citation
The crystal structure and related material properties of K3Rh were obtained from the Materials Project database (MP-ID: mp-1066655, 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_K3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65959891
_cell_length_b 5.65959891
_cell_length_c 6.31976146
_cell_angle_alpha 87.26442716
_cell_angle_beta 87.26442716
_cell_angle_gamma 61.27869499
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3Rh
_chemical_formula_sum 'K3 Rh1'
_cell_volume 177.25003008
_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 0.00000000 0.00000000 0.50000000 1.0
K K1 1 0.33830400 0.33830400 0.88321800 1.0
K K2 1 0.66169600 0.66169600 0.11678200 1.0
Rh Rh3 1 0.00000000 0.00000000 0.00000000 1.0
