Basic Information
Formula
RbMg6W
MP-ID
mp-1017202
Elements
3
Sites
8
Density
3.7494
g/cm³
Volume
183.86
ų
Cell a
6.4407
Å
Cell b
6.4407
Å
Cell c
5.1178
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 |
|---|---|---|---|
| 15.89 | 5.5778 | 60.6 | (1,0,-1,0) |
| 17.33 | 5.1178 | 6.9 | (0,0,0,1) |
| 23.59 | 3.7710 | 80.9 | (1,0,-1,1) |
| 27.70 | 3.2203 | 38.2 | (2,-1,-1,0) |
| 32.09 | 2.7889 | 18.3 | (2,0,-2,0) |
| 32.09 | 2.7889 | 9.2 | (2,-2,0,0) |
| 32.86 | 2.7256 | 8.5 | (2,-1,-1,1) |
| 35.07 | 2.5589 | 25.4 | (0,0,0,2) |
| 36.70 | 2.4489 | 100.0 | (2,0,-2,1) |
| 38.71 | 2.3258 | 13.7 | (1,0,-1,2) |
| 42.90 | 2.1082 | 6.9 | (3,-1,-2,0) |
| 45.26 | 2.0034 | 20.3 | (2,-1,-1,2) |
| 46.59 | 1.9493 | 33.8 | (3,-1,-2,1) |
| 48.27 | 1.8855 | 17.5 | (2,0,-2,2) |
| 48.99 | 1.8593 | 8.0 | (3,0,-3,0) |
| 52.35 | 1.7475 | 1.8 | (3,0,-3,1) |
| 56.40 | 1.6314 | 7.7 | (1,0,-1,3) |
| 56.56 | 1.6271 | 4.2 | (3,-1,-2,2) |
| 56.56 | 1.6271 | 2.1 | (3,-2,-1,2) |
| 57.21 | 1.6102 | 5.6 | (2,2,-4,0) |
| 57.21 | 1.6102 | 11.3 | (4,-2,-2,0) |
| 59.78 | 1.5470 | 2.6 | (4,-1,-3,0) |
| 59.78 | 1.5470 | 1.3 | (4,-3,-1,0) |
| 60.25 | 1.5359 | 1.3 | (4,-2,-2,1) |
Energy Properties
Formation Energy/atom
0.55676
eV/atom
Energy/atom
-2.40842
eV/atom
Energy above Hull
0.5568
eV/atom
Uncorrected Energy
-2.4084
eV/atom
Volume/atom
22.98
ų
c/a Ratio
0.7946
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0012
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.589
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017202
Reference Citation
The crystal structure and related material properties of RbMg6W were obtained from the Materials Project database (MP-ID: mp-1017202, 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_RbMg6W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44066704
_cell_length_b 6.44066704
_cell_length_c 5.11784200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999017
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMg6W
_chemical_formula_sum 'Rb1 Mg6 W1'
_cell_volume 183.85660890
_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
Rb Rb0 1 0.33333300 0.66666700 0.50000000 1.0
Mg Mg1 1 0.81468700 0.62937300 0.50000000 1.0
Mg Mg2 1 0.37062700 0.18531300 0.50000000 1.0
Mg Mg3 1 0.81468700 0.18531300 0.50000000 1.0
Mg Mg4 1 0.15681200 0.31362400 0.00000000 1.0
Mg Mg5 1 0.68637600 0.84318800 0.00000000 1.0
Mg Mg6 1 0.15681200 0.84318800 0.00000000 1.0
W W7 1 0.66666700 0.33333300 0.00000000 1.0
