Rb
Traditional Materials TRAMP-ID: mp-975129 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Rb
MP-ID
mp-975129
Elements
1
Sites
2
Density
1.4996
g/cm³
Volume
189.28
ų
Cell a
5.0882
Å
Cell b
5.0882
Å
Cell c
8.4421
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
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 |
|---|---|---|---|
| 20.15 | 4.4065 | 22.3 | (1,0,-1,0) |
| 20.15 | 4.4065 | 11.2 | (0,1,-1,0) |
| 21.05 | 4.2210 | 40.3 | (0,0,0,2) |
| 22.76 | 3.9064 | 100.0 | (1,0,-1,1) |
| 22.76 | 3.9064 | 50.0 | (0,1,-1,1) |
| 29.30 | 3.0482 | 8.8 | (1,0,-1,2) |
| 29.30 | 3.0482 | 17.6 | (1,-1,0,2) |
| 35.28 | 2.5441 | 10.6 | (2,-1,-1,0) |
| 35.28 | 2.5441 | 21.3 | (1,1,-2,0) |
| 37.94 | 2.3717 | 39.0 | (1,0,-1,3) |
| 40.96 | 2.2033 | 3.5 | (2,0,-2,0) |
| 40.96 | 2.2033 | 1.7 | (0,2,-2,0) |
| 41.44 | 2.1789 | 13.4 | (2,-1,-1,2) |
| 41.44 | 2.1789 | 26.8 | (1,1,-2,2) |
| 42.40 | 2.1319 | 9.4 | (2,0,-2,1) |
| 42.40 | 2.1319 | 9.4 | (2,-2,0,1) |
| 42.40 | 2.1319 | 9.4 | (0,2,-2,1) |
| 42.85 | 2.1105 | 6.1 | (0,0,0,4) |
| 46.49 | 1.9532 | 4.8 | (2,0,-2,2) |
| 46.49 | 1.9532 | 2.4 | (0,2,-2,2) |
| 47.78 | 1.9035 | 6.6 | (1,0,-1,4) |
| 52.77 | 1.7348 | 9.8 | (2,0,-2,3) |
| 52.77 | 1.7348 | 4.9 | (0,2,-2,3) |
| 55.15 | 1.6655 | 1.4 | (2,1,-3,0) |
Energy Properties
Formation Energy/atom
0.01002
eV/atom
Energy/atom
-0.97051
eV/atom
Energy above Hull
0.0100
eV/atom
Uncorrected Energy
-0.9705
eV/atom
Volume/atom
94.64
ų
c/a Ratio
1.6591
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
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.566
Family
Pure Metal
Matrix Element
Rb · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-975129
Reference Citation
The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-975129, 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_Rb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08820802
_cell_length_b 5.08820593
_cell_length_c 8.44205798
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000646
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb
_chemical_formula_sum Rb2
_cell_volume 189.28163212
_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 0.33333400 0.66666700 0.25000100 1.0
Rb Rb1 1 0.66666700 0.33333200 0.75000100 1.0
