Rb2Mg
Traditional Materials TRAMP-ID: mp-974768 · Space group: Cmcm (#63)
Basic Information
Formula
Rb2Mg
MP-ID
mp-974768
Elements
2
Sites
6
Density
1.5963
g/cm³
Volume
406.19
ų
Cell a
9.7968
Å
Cell b
9.7968
Å
Cell c
5.6180
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
131.12
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 18.51 | 4.7946 | 6.2 | (2,-1,0) |
| 19.86 | 4.4702 | 58.9 | (1,0,1) |
| 19.91 | 4.4595 | 29.6 | (2,-2,0) |
| 21.93 | 4.0532 | 30.6 | (1,1,0) |
| 24.12 | 3.6901 | 2.9 | (2,0,0) |
| 24.41 | 3.6470 | 100.0 | (2,-1,1) |
| 27.13 | 3.2870 | 6.5 | (1,1,1) |
| 27.31 | 3.2654 | 1.3 | (3,-2,0) |
| 29.79 | 2.9995 | 33.0 | (3,-1,0) |
| 30.06 | 2.9730 | 6.5 | (3,-3,0) |
| 31.69 | 2.8231 | 11.6 | (3,-2,1) |
| 31.86 | 2.8090 | 19.0 | (0,0,2) |
| 33.54 | 2.6717 | 1.2 | (2,1,0) |
| 36.53 | 2.4601 | 2.3 | (3,0,0) |
| 37.09 | 2.4237 | 2.0 | (2,-1,2) |
| 37.27 | 2.4127 | 20.9 | (2,1,1) |
| 37.52 | 2.3973 | 2.9 | (4,-2,0) |
| 37.85 | 2.3768 | 11.3 | (2,-2,2) |
| 39.01 | 2.3088 | 13.5 | (1,1,2) |
| 40.01 | 2.2535 | 12.9 | (3,0,1) |
| 40.35 | 2.2351 | 1.4 | (2,0,2) |
| 40.43 | 2.2311 | 23.3 | (4,-3,1) |
| 40.45 | 2.2298 | 6.5 | (4,-4,0) |
| 40.93 | 2.2049 | 1.8 | (4,-2,1) |
Energy Properties
Formation Energy/atom
0.19157
eV/atom
Energy/atom
-1.00561
eV/atom
Energy above Hull
0.1916
eV/atom
Uncorrected Energy
-1.0056
eV/atom
Volume/atom
67.70
ų
c/a Ratio
0.5735
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0011
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 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
0.575
Family
Binary Alloy
Matrix Element
Rb · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-974768
Reference Citation
The crystal structure and related material properties of Rb2Mg were obtained from the Materials Project database (MP-ID: mp-974768, 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_Rb2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.79684358
_cell_length_b 9.79684358
_cell_length_c 5.61795900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 131.12136322
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb2Mg
_chemical_formula_sum 'Rb4 Mg2'
_cell_volume 406.19015395
_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
Rb Rb0 1 0.59199600 0.86807000 0.25000000 1.0
Rb Rb1 1 0.13193000 0.40800400 0.75000000 1.0
Rb Rb2 1 0.40800400 0.13193000 0.75000000 1.0
Rb Rb3 1 0.86807000 0.59199600 0.25000000 1.0
Mg Mg4 1 0.90859300 0.90859300 0.75000000 1.0
Mg Mg5 1 0.09140700 0.09140700 0.25000000 1.0
