RbMg
Traditional Materials TRAMP-ID: mp-974974 · Space group: Amm2 (#38)
Basic Information
Formula
RbMg
MP-ID
mp-974974
Elements
2
Sites
6
Density
1.6815
g/cm³
Volume
325.22
ų
Cell a
7.7998
Å
Cell b
7.7998
Å
Cell c
5.4266
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
99.91
°
Space Group
Amm2
Point Group
mm2
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 |
|---|---|---|---|
| 11.52 | 7.6835 | 2.3 | (1,0,0) |
| 14.84 | 5.9709 | 1.3 | (1,-1,0) |
| 16.33 | 5.4266 | 7.0 | (0,0,1) |
| 17.67 | 5.0185 | 12.0 | (1,1,0) |
| 20.03 | 4.4326 | 66.7 | (1,0,1) |
| 22.14 | 4.0159 | 73.5 | (1,-1,1) |
| 23.15 | 3.8418 | 63.0 | (2,0,0) |
| 24.05 | 3.7002 | 74.7 | (2,-1,0) |
| 24.16 | 3.6844 | 100.0 | (1,1,1) |
| 27.69 | 3.2216 | 42.3 | (2,1,0) |
| 28.47 | 3.1355 | 50.8 | (2,0,1) |
| 29.21 | 3.0572 | 60.5 | (2,-1,1) |
| 29.93 | 2.9855 | 4.5 | (2,-2,0) |
| 32.32 | 2.7702 | 3.8 | (2,1,1) |
| 33.01 | 2.7133 | 39.5 | (0,0,2) |
| 34.97 | 2.5658 | 4.7 | (3,-1,0) |
| 35.04 | 2.5612 | 2.1 | (3,0,0) |
| 35.78 | 2.5093 | 5.0 | (2,2,0) |
| 37.69 | 2.3868 | 3.7 | (1,1,2) |
| 38.76 | 2.3235 | 9.2 | (3,-2,0) |
| 38.82 | 2.3196 | 13.5 | (3,-1,1) |
| 38.88 | 2.3162 | 29.5 | (3,0,1) |
| 38.93 | 2.3133 | 19.8 | (3,1,0) |
| 39.57 | 2.2776 | 15.9 | (2,2,1) |
Energy Properties
Formation Energy/atom
0.21230
eV/atom
Energy/atom
-1.09320
eV/atom
Energy above Hull
0.2123
eV/atom
Uncorrected Energy
-1.0932
eV/atom
Volume/atom
54.20
ų
c/a Ratio
0.6957
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0018
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
Rb · 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
0.483
Family
Binary Alloy
Matrix Element
Rb · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-974974
Reference Citation
The crystal structure and related material properties of RbMg were obtained from the Materials Project database (MP-ID: mp-974974, 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_RbMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79982561
_cell_length_b 7.79982561
_cell_length_c 5.42657800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 99.90663142
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMg
_chemical_formula_sum 'Rb3 Mg3'
_cell_volume 325.21568985
_cell_formula_units_Z 3
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 0.89686200 0.89686200 0.50000000 1.0
Rb Rb1 1 0.43791800 0.04465500 0.00000000 1.0
Rb Rb2 1 0.04465500 0.43791800 0.00000000 1.0
Mg Mg3 1 0.65184700 0.39774300 0.50000000 1.0
Mg Mg4 1 0.57097700 0.57097700 0.00000000 1.0
Mg Mg5 1 0.39774300 0.65184700 0.50000000 1.0
