Rb
传统材料 TRAMP-ID: mp-639755 · Space group: I4/mmm (#139)
Basic Information
Formula
Rb
MP-ID
mp-639755
Elements
1
Sites
1
Density
1.4884
g/cm³
Volume
95.35
ų
Cell a
5.4617
Å
Cell b
4.9916
Å
Cell c
4.9916
Å
α Angle
72.58
°
β Angle
56.83
°
γ Angle
56.83
°
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 |
|---|---|---|---|
| 21.26 | 4.1783 | 100.0 | (0,1,0) |
| 22.16 | 4.0108 | 90.5 | (1,0,0) |
| 22.16 | 4.0108 | 90.5 | (1,1,0) |
| 30.25 | 2.9545 | 20.6 | (0,1,1) |
| 30.25 | 2.9545 | 20.6 | (0,1,-1) |
| 32.80 | 2.7309 | 16.6 | (2,1,1) |
| 37.82 | 2.3788 | 77.8 | (1,0,-1) |
| 37.82 | 2.3788 | 11.1 | (1,2,0) |
| 39.42 | 2.2859 | 19.7 | (2,1,0) |
| 39.42 | 2.2859 | 19.7 | (2,2,1) |
| 43.31 | 2.0892 | 7.5 | (0,0,2) |
| 43.31 | 2.0892 | 7.5 | (0,2,0) |
| 45.22 | 2.0054 | 6.6 | (2,0,0) |
| 45.22 | 2.0054 | 19.8 | (2,2,0) |
| 48.73 | 1.8686 | 10.5 | (0,2,1) |
| 48.73 | 1.8686 | 10.5 | (0,2,-1) |
| 49.17 | 1.8529 | 10.3 | (1,-1,-1) |
| 49.17 | 1.8529 | 10.3 | (1,2,-1) |
| 52.60 | 1.7399 | 4.2 | (3,1,1) |
| 52.60 | 1.7399 | 12.6 | (3,2,1) |
| 55.37 | 1.6593 | 7.2 | (2,1,-1) |
| 55.37 | 1.6593 | 3.6 | (2,1,3) |
| 55.37 | 1.6593 | 3.6 | (2,3,1) |
| 58.83 | 1.5697 | 11.9 | (1,0,-2) |
Energy Properties
Formation Energy/atom
0.00739
eV/atom
Energy/atom
-0.97315
eV/atom
Energy above Hull
0.0074
eV/atom
Uncorrected Energy
-0.9731
eV/atom
Volume/atom
95.35
ų
c/a Ratio
0.9139
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
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.568
Family
Pure Metal
Matrix Element
Rb · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-639755
Reference Citation
The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-639755, 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 5.46169039
_cell_length_b 4.99157185
_cell_length_c 4.99157232
_cell_angle_alpha 72.58391070
_cell_angle_beta 56.83232489
_cell_angle_gamma 56.83232564
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb
_chemical_formula_sum Rb1
_cell_volume 95.35172383
_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
