Basic Information
Formula
Rh3W
MP-ID
mp-30866
Elements
2
Sites
8
Density
14.4968
g/cm³
Volume
112.84
ų
Cell a
5.4769
Å
Cell b
5.4769
Å
Cell c
4.3437
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 18.71 | 4.7432 | 3.1 | (1,-1,0,0) |
| 18.71 | 4.7432 | 1.5 | (1,0,-1,0) |
| 27.85 | 3.2034 | 7.3 | (1,-1,0,1) |
| 27.85 | 3.2034 | 3.7 | (1,0,-1,1) |
| 32.70 | 2.7385 | 4.9 | (2,-1,-1,0) |
| 37.94 | 2.3716 | 36.8 | (2,0,-2,0) |
| 41.58 | 2.1719 | 37.9 | (0,0,0,2) |
| 43.48 | 2.0815 | 100.0 | (2,-2,0,1) |
| 43.48 | 2.0815 | 50.0 | (2,0,-2,1) |
| 45.96 | 1.9747 | 1.0 | (1,0,-1,2) |
| 53.88 | 1.7017 | 1.7 | (2,-1,-1,2) |
| 55.45 | 1.6572 | 1.2 | (2,-3,1,1) |
| 55.45 | 1.6572 | 2.4 | (3,-1,-2,1) |
| 57.54 | 1.6017 | 7.2 | (2,-2,0,2) |
| 57.54 | 1.6017 | 14.5 | (2,0,-2,2) |
| 67.66 | 1.3848 | 1.0 | (1,0,-1,3) |
| 68.53 | 1.3692 | 8.5 | (2,-4,2,0) |
| 68.53 | 1.3692 | 17.0 | (4,-2,-2,0) |
| 77.19 | 1.2358 | 18.2 | (2,-2,0,3) |
| 77.19 | 1.2358 | 9.1 | (2,0,-2,3) |
| 81.10 | 1.1858 | 1.3 | (4,-4,0,0) |
| 81.10 | 1.1858 | 1.3 | (0,4,-4,0) |
| 81.10 | 1.1858 | 1.3 | (4,0,-4,0) |
| 83.45 | 1.1583 | 10.0 | (2,-4,2,2) |
Energy Properties
Formation Energy/atom
-0.26903
eV/atom
Energy/atom
-31.21315
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.2131
eV/atom
Volume/atom
14.11
ų
c/a Ratio
0.7931
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
282.841
GPa
GVRH
137.344
GPa
Young's Modulus E
354.631
GPa
Poisson Ratio ν
0.291
Pugh Ratio K/G
2.059
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.058
Lame λ
191.278
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.721
Family
Binary Alloy
Matrix Element
Rh · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30866
Reference Citation
The crystal structure and related material properties of Rh3W were obtained from the Materials Project database (MP-ID: mp-30866, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Rh3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47692595
_cell_length_b 5.47692656
_cell_length_c 4.34369129
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000866
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rh3W
_chemical_formula_sum 'Rh6 W2'
_cell_volume 112.84006633
_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
Rh Rh0 1 0.83329610 0.66659221 0.25000000 1.0
Rh Rh1 1 0.16670390 0.83329610 0.75000000 1.0
Rh Rh2 1 0.66659221 0.83329610 0.75000000 1.0
Rh Rh3 1 0.33340779 0.16670390 0.25000000 1.0
Rh Rh4 1 0.83329610 0.16670390 0.25000000 1.0
Rh Rh5 1 0.16670390 0.33340779 0.75000000 1.0
W W6 1 0.33333300 0.66666700 0.25000000 1.0
W W7 1 0.66666700 0.33333300 0.75000000 1.0
