Rb
Traditional Materials TRAMP-ID: mp-975519 · Space group: I4/mmm (#139)
Basic Information
Formula
Rb
MP-ID
mp-975519
Elements
1
Sites
1
Density
1.4833
g/cm³
Volume
95.68
ų
Cell a
5.0683
Å
Cell b
5.0683
Å
Cell c
5.1690
Å
α Angle
119.36
°
β Angle
119.36
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 |
|---|---|---|---|
| 21.20 | 4.1904 | 100.0 | (1,0,-1) |
| 21.20 | 4.1904 | 100.0 | (1,0,0) |
| 23.89 | 3.7249 | 37.4 | (0,0,1) |
| 24.84 | 3.5838 | 68.0 | (1,-1,0) |
| 34.74 | 2.5826 | 14.0 | (1,1,-2) |
| 34.74 | 2.5826 | 28.1 | (1,-1,1) |
| 34.74 | 2.5826 | 14.0 | (1,1,0) |
| 35.42 | 2.5341 | 26.6 | (2,0,-1) |
| 40.45 | 2.2300 | 18.2 | (1,0,-2) |
| 40.45 | 2.2300 | 18.2 | (1,0,1) |
| 41.65 | 2.1685 | 16.7 | (2,1,-2) |
| 41.65 | 2.1685 | 16.7 | (2,-1,-1) |
| 41.65 | 2.1685 | 33.4 | (2,-1,0) |
| 43.18 | 2.0952 | 15.0 | (2,0,-2) |
| 43.18 | 2.0952 | 15.0 | (2,0,0) |
| 48.90 | 1.8624 | 5.2 | (0,0,2) |
| 50.96 | 1.7919 | 9.2 | (2,-2,0) |
| 54.84 | 1.6741 | 7.3 | (2,1,-3) |
| 54.84 | 1.6741 | 7.3 | (2,-1,-2) |
| 54.84 | 1.6741 | 7.3 | (2,-1,1) |
| 54.84 | 1.6741 | 7.3 | (2,1,0) |
| 55.61 | 1.6526 | 3.5 | (1,1,-3) |
| 55.61 | 1.6526 | 7.0 | (1,-1,2) |
| 55.61 | 1.6526 | 3.5 | (1,1,1) |
Energy Properties
Formation Energy/atom
0.01663
eV/atom
Energy/atom
-0.96391
eV/atom
Energy above Hull
0.0166
eV/atom
Uncorrected Energy
-0.9639
eV/atom
Volume/atom
95.68
ų
c/a Ratio
1.0199
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
0.562
Family
Pure Metal
Matrix Element
Rb · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-975519
Reference Citation
The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-975519, 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 5.06825768
_cell_length_b 5.06825768
_cell_length_c 5.16896109
_cell_angle_alpha 119.35762316
_cell_angle_beta 119.35762316
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb
_chemical_formula_sum Rb1
_cell_volume 95.68113921
_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 0.00000000 0.00000000 -0.00000000 1.0
