Rb
Traditional Materials TRAMP-ID: mp-975204 · Space group: Cmcm (#63)
Basic Information
Formula
Rb
MP-ID
mp-975204
Elements
1
Sites
2
Density
1.4891
g/cm³
Volume
190.61
ų
Cell a
5.1184
Å
Cell b
5.1184
Å
Cell c
8.4480
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.54
°
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 |
|---|---|---|---|
| 19.98 | 4.4447 | 8.8 | (1,-1,0,0) |
| 20.14 | 4.4082 | 26.7 | (1,0,-1,0) |
| 21.03 | 4.2240 | 42.3 | (0,0,0,2) |
| 22.60 | 3.9335 | 58.0 | (1,-1,0,1) |
| 22.75 | 3.9082 | 100.0 | (1,0,-1,1) |
| 29.17 | 3.0619 | 6.9 | (1,-1,0,2) |
| 29.28 | 3.0499 | 21.1 | (1,0,-1,2) |
| 35.07 | 2.5591 | 22.4 | (2,-1,-1,0) |
| 35.36 | 2.5382 | 11.1 | (1,1,-2,0) |
| 37.82 | 2.3788 | 14.9 | (1,-1,0,3) |
| 37.91 | 2.3731 | 26.0 | (1,0,-1,3) |
| 40.59 | 2.2224 | 3.0 | (2,-2,0,0) |
| 40.95 | 2.2041 | 2.7 | (2,0,-2,0) |
| 41.25 | 2.1887 | 28.1 | (2,-1,-1,2) |
| 41.51 | 2.1756 | 14.0 | (1,1,-2,2) |
| 42.04 | 2.1492 | 8.1 | (2,-2,0,1) |
| 42.38 | 2.1327 | 21.5 | (2,0,-2,1) |
| 42.82 | 2.1120 | 6.4 | (0,0,0,4) |
| 46.15 | 1.9668 | 4.1 | (2,-2,0,2) |
| 46.47 | 1.9541 | 3.7 | (2,0,-2,2) |
| 47.67 | 1.9076 | 1.7 | (1,-1,0,4) |
| 47.75 | 1.9047 | 5.3 | (1,0,-1,4) |
| 52.45 | 1.7445 | 4.2 | (2,-2,0,3) |
| 52.74 | 1.7357 | 11.2 | (2,0,-2,3) |
Energy Properties
Formation Energy/atom
0.01184
eV/atom
Energy/atom
-0.96869
eV/atom
Energy above Hull
0.0118
eV/atom
Uncorrected Energy
-0.9687
eV/atom
Volume/atom
95.31
ų
c/a Ratio
1.6505
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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 · 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
0.565
Family
Pure Metal
Matrix Element
Rb · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-975204
Reference Citation
The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-975204, 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 5.11838505
_cell_length_b 5.11838505
_cell_length_c 8.44800280
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.54256656
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb
_chemical_formula_sum Rb2
_cell_volume 190.61195259
_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 0.83971126 0.16028874 0.25000000 1.0
Rb Rb1 1 0.16028874 0.83971126 0.75000000 1.0
