Rb3Cd
Traditional Materials TRAMP-ID: mp-982205 · Space group: I4/mmm (#139)
Basic Information
Formula
Rb3Cd
MP-ID
mp-982205
Elements
2
Sites
4
Density
2.4151
g/cm³
Volume
253.58
ų
Cell a
7.7836
Å
Cell b
7.7836
Å
Cell c
7.7836
Å
α Angle
132.22
°
β Angle
132.22
°
γ Angle
69.88
°
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 23)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.68 | 5.6521 | 1.5 | (1,0,-1) |
| 24.36 | 3.6543 | 100.0 | (2,0,-1) |
| 27.97 | 3.1903 | 17.6 | (2,2,-2) |
| 28.31 | 3.1521 | 34.2 | (1,-1,1) |
| 40.22 | 2.2423 | 26.0 | (3,1,-3) |
| 40.47 | 2.2289 | 12.8 | (2,-2,0) |
| 47.36 | 1.9196 | 16.0 | (3,3,-4) |
| 47.80 | 1.9028 | 31.2 | (3,-1,-2) |
| 49.91 | 1.8271 | 13.7 | (4,0,-2) |
| 57.80 | 1.5952 | 2.2 | (4,4,-4) |
| 58.57 | 1.5760 | 4.2 | (2,-2,2) |
| 64.01 | 1.4545 | 12.8 | (5,1,-4) |
| 64.38 | 1.4472 | 6.3 | (4,-2,-1) |
| 65.59 | 1.4233 | 5.9 | (5,3,-5) |
| 66.13 | 1.4130 | 5.8 | (4,0,-4) |
| 66.31 | 1.4097 | 5.7 | (3,-3,1) |
| 72.93 | 1.2972 | 4.4 | (6,2,-4) |
| 73.44 | 1.2894 | 8.5 | (5,-1,-3) |
| 77.86 | 1.2269 | 3.6 | (5,5,-6) |
| 78.53 | 1.2181 | 3.6 | (6,0,-3) |
| 78.86 | 1.2138 | 7.0 | (4,-2,-3) |
| 86.89 | 1.1211 | 2.8 | (6,2,-6) |
| 87.54 | 1.1144 | 1.4 | (4,-4,0) |
Energy Properties
Formation Energy/atom
0.07819
eV/atom
Energy/atom
-0.89721
eV/atom
Energy above Hull
0.0812
eV/atom
Uncorrected Energy
-0.8972
eV/atom
Volume/atom
63.40
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1171
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000460
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.587
Family
Binary Alloy
Matrix Element
Rb · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-982205
Reference Citation
The crystal structure and related material properties of Rb3Cd were obtained from the Materials Project database (MP-ID: mp-982205, 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_Rb3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.78357096
_cell_length_b 7.78357096
_cell_length_c 7.78357096
_cell_angle_alpha 132.22224195
_cell_angle_beta 132.22224195
_cell_angle_gamma 69.87824558
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb3Cd
_chemical_formula_sum 'Rb3 Cd1'
_cell_volume 253.58118075
_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 0.75000000 0.25000000 0.50000000 1.0
Rb Rb1 1 0.25000000 0.75000000 0.50000000 1.0
Rb Rb2 1 0.50000000 0.50000000 0.00000000 1.0
Cd Cd3 1 0.00000000 0.00000000 0.00000000 1.0
