RbMg6Cd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017075 · Space group: Amm2 (#38)
Basic Information
Formula
RbMg6Cd
MP-ID
mp-1017075
Elements
3
Sites
16
Density
2.5893
g/cm³
Volume
440.85
ų
Cell a
5.4283
Å
Cell b
6.8057
Å
Cell c
11.9331
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
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 |
|---|---|---|---|
| 14.85 | 5.9666 | 38.9 | (0,0,2) |
| 14.99 | 5.9118 | 4.9 | (0,1,1) |
| 16.33 | 5.4283 | 34.4 | (1,0,0) |
| 22.14 | 4.0152 | 37.4 | (1,0,2) |
| 22.23 | 3.9984 | 1.4 | (1,1,1) |
| 26.19 | 3.4029 | 11.7 | (0,2,0) |
| 29.95 | 2.9833 | 18.4 | (0,0,4) |
| 30.24 | 2.9559 | 33.8 | (0,2,2) |
| 30.81 | 2.9022 | 1.2 | (1,1,3) |
| 31.02 | 2.8832 | 14.6 | (1,2,0) |
| 33.00 | 2.7141 | 35.7 | (2,0,0) |
| 34.30 | 2.6145 | 49.5 | (1,0,4) |
| 34.55 | 2.5960 | 100.0 | (1,2,2) |
| 36.37 | 2.4705 | 8.9 | (2,0,2) |
| 36.43 | 2.4666 | 1.1 | (2,1,1) |
| 40.20 | 2.2433 | 8.5 | (0,2,4) |
| 42.61 | 2.1219 | 6.2 | (2,2,0) |
| 43.66 | 2.0732 | 9.6 | (1,2,4) |
| 45.16 | 2.0076 | 11.5 | (2,0,4) |
| 45.36 | 1.9992 | 21.4 | (2,2,2) |
| 45.61 | 1.9889 | 2.4 | (0,0,6) |
| 48.76 | 1.8675 | 4.4 | (1,0,6) |
| 50.44 | 1.8094 | 1.8 | (3,0,0) |
| 52.88 | 1.7315 | 3.4 | (3,0,2) |
Energy Properties
Formation Energy/atom
0.22862
eV/atom
Energy/atom
-1.23680
eV/atom
Energy above Hull
0.2541
eV/atom
Uncorrected Energy
-1.2368
eV/atom
Volume/atom
27.55
ų
c/a Ratio
2.1983
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0012
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
Mg · 0.750
Element Family
Alkali-AlkEarth
Solute Fraction
0.250
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7356
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.1160
J/mol·K
Ω Parameter
0.7186
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.097%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2188
smaller = more stable mixing
VEC
3.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.856
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.579
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017075
Reference Citation
The crystal structure and related material properties of RbMg6Cd were obtained from the Materials Project database (MP-ID: mp-1017075, 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_RbMg6Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42824500
_cell_length_b 6.80571800
_cell_length_c 11.93313400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbMg6Cd
_chemical_formula_sum 'Rb2 Mg12 Cd2'
_cell_volume 440.84701882
_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 0.50000000 0.00000000 0.16671400 1.0
Rb Rb1 1 0.50000000 0.50000000 0.66671400 1.0
Mg Mg2 1 0.50000000 0.24433300 0.41766100 1.0
Mg Mg3 1 0.50000000 0.75566700 0.41766100 1.0
Mg Mg4 1 0.00000000 0.73196500 0.07815400 1.0
Mg Mg5 1 0.00000000 0.26803500 0.07815400 1.0
Mg Mg6 1 0.00000000 0.00000000 0.34523600 1.0
Mg Mg7 1 0.00000000 0.50000000 0.33335000 1.0
Mg Mg8 1 0.50000000 0.74433300 0.91766100 1.0
Mg Mg9 1 0.50000000 0.25566700 0.91766100 1.0
Mg Mg10 1 0.00000000 0.23196500 0.57815400 1.0
Mg Mg11 1 0.00000000 0.76803500 0.57815400 1.0
Mg Mg12 1 0.00000000 0.50000000 0.84523600 1.0
Mg Mg13 1 0.00000000 0.00000000 0.83335000 1.0
Cd Cd14 1 0.50000000 0.50000000 0.16306500 1.0
Cd Cd15 1 0.50000000 0.00000000 0.66306500 1.0
